methyl 2-[(2,3-dimethylphenyl)carbamothioylamino]-4-(2-methylpropyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2,3-dimethylphenyl)carbamothioylamino]-4-(2-methylpropyl)thiophene-3-carboxylate Openeye Name: methyl 2-[(2,3-dimethylphenyl)carbamothioylamino]-4-isobutyl-thiophene-3-carboxylate CAS Name: 2-[[(2,3-dimethylanilino)-sulfanylidenemethyl]amino]-4-(2-methylpropyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2,3-dimethylphenyl)carbamothioylamino]-4-(2-methylpropyl)thiophene-3-carboxylate Traditional Name: 2-[(2,3-dimethylphenyl)thiocarbamoylamino]-4-isobutyl-thiophene-3-carboxylic acid methyl ester Formula: C19H24N2O2S2 MolecularWeight: 376.53606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)NC2=C(C(=CS2)CC(C)C)C(=O)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)NC2=C(C(=CS2)CC(C)C)C(=O)OC)C

InChI

InChI=1S/C19H24N2O2S2/c1-11(2)9-14-10-25-17(16(14)18(22)23-5)21-19(24)20-15-8-6-7-12(3)13(15)4/h6-8,10-11H,9H2,1-5H3,(H2,20,21,24)