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

Systemtic Name: methyl 2-[(3-methylphenyl)carbamothioylamino]-4-(2-methylpropyl)thiophene-3-carboxylate Openeye Name: methyl 4-isobutyl-2-(m-tolylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(3-methylanilino)-sulfanylidenemethyl]amino]-4-(2-methylpropyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-methylphenyl)carbamothioylamino]-4-(2-methylpropyl)thiophene-3-carboxylate Traditional Name: 4-isobutyl-2-(m-tolylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C18H22N2O2S2 MolecularWeight: 362.50948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O2S2/c1-11(2)8-13-10-24-16(15(13)17(21)22-4)20-18(23)19-14-7-5-6-12(3)9-14/h5-7,9-11H,8H2,1-4H3,(H2,19,20,23)