methyl 4-methyl-2-(phenylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 4-methyl-2-(phenylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-4-methyl-2-(phenylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-4-methyl-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-4-methyl-2-(phenylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-4-methyl-2-(phenylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C21H20N2O2S2 MolecularWeight: 396.5257

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=CC=C2)CC3=CC=CC=C3

InChI

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