ethyl 2-[[4-[(2-methylphenyl)sulfamoyl]phenyl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-[(2-methylphenyl)sulfamoyl]phenyl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[4-(o-tolylsulfamoyl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[4-[(2-methylphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[4-[(2-methylphenyl)sulfamoyl]phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[4-(o-tolylsulfamoyl)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C28H27N3O4S3 MolecularWeight: 565.72668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=C4C

InChI

InChI=1S/C28H27N3O4S3/c1-3-35-27(32)24-18-22(17-20-10-5-4-6-11-20)37-26(24)30-28(36)29-21-13-15-23(16-14-21)38(33,34)31-25-12-8-7-9-19(25)2/h4-16,18,31H,3,17H2,1-2H3,(H2,29,30,36)