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

Systemtic Name: ethyl 5-(phenylmethyl)-2-[[3-[(phenylmethyl)carbamoyl]phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[3-(benzylcarbamoyl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[3-[oxo-[(phenylmethyl)amino]methyl]anilino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[3-(benzylcarbamoyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[3-(benzylcarbamoyl)phenyl]thiocarbamoylamino]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(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=CC(=C3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=CC(=C3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C29H27N3O3S2/c1-2-35-28(34)25-18-24(16-20-10-5-3-6-11-20)37-27(25)32-29(36)31-23-15-9-14-22(17-23)26(33)30-19-21-12-7-4-8-13-21/h3-15,17-18H,2,16,19H2,1H3,(H,30,33)(H2,31,32,36)