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

Systemtic Name: ethyl 5-phenyl-2-[[3-[(phenylmethyl)carbamoyl]phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[3-(benzylcarbamoyl)phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[3-[oxo-[(phenylmethyl)amino]methyl]anilino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-(benzylcarbamoyl)phenyl]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[3-(benzylcarbamoyl)phenyl]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H25N3O3S2 MolecularWeight: 515.6464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H25N3O3S2/c1-2-34-27(33)23-17-24(20-12-7-4-8-13-20)36-26(23)31-28(35)30-22-15-9-14-21(16-22)25(32)29-18-19-10-5-3-6-11-19/h3-17H,2,18H2,1H3,(H,29,32)(H2,30,31,35)