methyl 2-[2-(4-chlorophenyl)ethylcarbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(4-chlorophenyl)ethylcarbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[2-(4-chlorophenyl)ethylcarbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[2-(4-chlorophenyl)ethylamino]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-chlorophenyl)ethylcarbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[2-(4-chlorophenyl)ethylthiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H21ClN2O2S2 MolecularWeight: 396.95454

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NCCC2=CC=C(C=C2)Cl)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NCCC2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C18H21ClN2O2S2/c1-4-14-11(2)25-16(15(14)17(22)23-3)21-18(24)20-10-9-12-5-7-13(19)8-6-12/h5-8H,4,9-10H2,1-3H3,(H2,20,21,24)