methyl 4-ethyl-5-methyl-2-(phenylcarbonylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-ethyl-5-methyl-2-(phenylcarbonylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 2-(benzoylcarbamothioylamino)-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[benzamido(sulfanylidene)methyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(benzoylcarbamothioylamino)-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-(benzoylthiocarbamoylamino)-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C17H18N2O3S2 MolecularWeight: 362.46642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O3S2/c1-4-12-10(2)24-15(13(12)16(21)22-3)19-17(23)18-14(20)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3,(H2,18,19,20,23)