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

Systemtic Name: methyl 5-phenyl-2-[(phenylmethyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-(benzylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(benzylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(benzylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C20H18N2O2S2 MolecularWeight: 382.49912

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C20H18N2O2S2/c1-24-19(23)16-12-17(15-10-6-3-7-11-15)26-18(16)22-20(25)21-13-14-8-4-2-5-9-14/h2-12H,13H2,1H3,(H2,21,22,25)