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

Systemtic Name: methyl 5-(phenylmethyl)-2-[(phenylmethyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-(benzylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-(benzylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(benzylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C21H20N2O2S2 MolecularWeight: 396.5257

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O2S2/c1-25-20(24)18-13-17(12-15-8-4-2-5-9-15)27-19(18)23-21(26)22-14-16-10-6-3-7-11-16/h2-11,13H,12,14H2,1H3,(H2,22,23,26)