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

Systemtic Name: ethyl 2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[4-(p-tolylsulfonylamino)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[4-[(4-methylphenyl)sulfonylamino]anilino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[4-(tosylamino)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)NS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)C

InChI

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