methyl 4-ethyl-5-methyl-2-[(phenylmethyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-ethyl-5-methyl-2-[(phenylmethyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-(benzylcarbamothioylamino)-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(benzylcarbamothioylamino)-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-(benzylthiocarbamoylamino)-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C17H20N2O2S2 MolecularWeight: 348.4829

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CC=CC=C2)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CC=CC=C2)C

InChI

InChI=1S/C17H20N2O2S2/c1-4-13-11(2)23-15(14(13)16(20)21-3)19-17(22)18-10-12-8-6-5-7-9-12/h5-9H,4,10H2,1-3H3,(H2,18,19,22)