ethyl 4-(2-methylpropyl)-2-(phenylcarbonylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(2-methylpropyl)-2-(phenylcarbonylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 2-(benzoylcarbamothioylamino)-4-isobutyl-thiophene-3-carboxylate CAS Name: 2-[[benzamido(sulfanylidene)methyl]amino]-4-(2-methylpropyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzoylcarbamothioylamino)-4-(2-methylpropyl)thiophene-3-carboxylate Traditional Name: 2-(benzoylthiocarbamoylamino)-4-isobutyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H22N2O3S2 MolecularWeight: 390.51958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=S)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=S)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H22N2O3S2/c1-4-24-18(23)15-14(10-12(2)3)11-26-17(15)21-19(25)20-16(22)13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3,(H2,20,21,22,25)