methyl 5-phenyl-2-(1-phenylethylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-phenyl-2-(1-phenylethylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-phenyl-2-(1-phenylethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[(1-phenylethylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-phenyl-2-(1-phenylethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-phenyl-2-(1-phenylethylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C21H20N2O2S2 MolecularWeight: 396.5257

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H20N2O2S2/c1-14(15-9-5-3-6-10-15)22-21(26)23-19-17(20(24)25-2)13-18(27-19)16-11-7-4-8-12-16/h3-14H,1-2H3,(H2,22,23,26)