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

Systemtic Name: methyl 5-(phenylmethyl)-2-[[3-[(phenylmethyl)carbamoyl]phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 5-benzyl-2-[[3-(benzylcarbamoyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[3-(benzylcarbamoyl)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C28H25N3O3S2 MolecularWeight: 515.6464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H25N3O3S2/c1-34-27(33)24-17-23(15-19-9-4-2-5-10-19)36-26(24)31-28(35)30-22-14-8-13-21(16-22)25(32)29-18-20-11-6-3-7-12-20/h2-14,16-17H,15,18H2,1H3,(H,29,32)(H2,30,31,35)