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

Systemtic Name: ethyl 5-methyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-4-phenyl-2-[[4-(p-tolylsulfonylamino)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[4-[(4-methylphenyl)sulfonylamino]anilino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-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(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C28H27N3O4S3/c1-4-35-27(32)25-24(20-8-6-5-7-9-20)19(3)37-26(25)30-28(36)29-21-12-14-22(15-13-21)31-38(33,34)23-16-10-18(2)11-17-23/h5-17,31H,4H2,1-3H3,(H2,29,30,36)