methyl 5-methyl-2-[1-(4-methylphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-[1-(4-methylphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[1-(p-tolyl)ethylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[1-(4-methylphenyl)ethylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[1-(4-methylphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[1-(p-tolyl)ethylthiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C17H20N2O2S2 MolecularWeight: 348.4829

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C)NC(=S)NC2=C(C=C(S2)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(C)NC(=S)NC2=C(C=C(S2)C)C(=O)OC

InChI

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