ethyl 5-methyl-4-phenyl-2-[[3-[(phenylmethyl)carbamoyl]phenyl]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-4-phenyl-2-[[3-[(phenylmethyl)carbamoyl]phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[3-(benzylcarbamoyl)phenyl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[3-[oxo-[(phenylmethyl)amino]methyl]anilino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-(benzylcarbamoyl)phenyl]carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[3-(benzylcarbamoyl)phenyl]thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C29H27N3O3S2 MolecularWeight: 529.67298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=CC(=C3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=CC(=C3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C29H27N3O3S2/c1-3-35-28(34)25-24(21-13-8-5-9-14-21)19(2)37-27(25)32-29(36)31-23-16-10-15-22(17-23)26(33)30-18-20-11-6-4-7-12-20/h4-17H,3,18H2,1-2H3,(H,30,33)(H2,31,32,36)