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

Systemtic Name: methyl 5-phenyl-2-[[3-[(phenylmethyl)carbamoyl]phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 2-[[3-(benzylcarbamoyl)phenyl]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[3-(benzylcarbamoyl)phenyl]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C27H23N3O3S2 MolecularWeight: 501.61982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H23N3O3S2/c1-33-26(32)22-16-23(19-11-6-3-7-12-19)35-25(22)30-27(34)29-21-14-8-13-20(15-21)24(31)28-17-18-9-4-2-5-10-18/h2-16H,17H2,1H3,(H,28,31)(H2,29,30,34)