Search Result : Detailed Informations

Low Mol Weight Allergen Name	CAS#	CID
N-[3-(1,3-Benzothiazol-2-yl)-2-methylphenyl]-N'-(3-methoxybenzoyl)thiourea	7220-79-3	1048277

Structure

Other Information

Canonical SMILES	CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC(=CC=C2)OC)C3=NC4=CC=CC=C4S3
Iso SMILES	CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC(=CC=C2)OC)C3=NC4=CC=CC=C4S3
InChI	InChI=1S/C23H19N3O2S2/c1-14-17(22-24-19-10-3-4-12-20(19)30-22)9-6-11-18(14)25-23(29)26-21(27)15-7-5-8-16(13-15)28-2/h3-13H,1-2H3,(H2,25,26,27,29)
InChI Key	PZPAVXICZIMOOK-UHFFFAOYSA-N
Formula	C23H19N3O2S2
Mol Weight	433.546
XlogP3	6
Charge	0

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Synonyms Information

CAS Name	N-[[3-(1,3-benzothiazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-3-methoxybenzamide
IUPAC Name	N-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-methoxy-benzamide
Openeye Name	N-[[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-methoxybenzamide
Systematic Name	N-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-methoxy-benzamide
Tratitional Name	N-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-methoxy-benzamide