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

Systemtic Name: methyl 2-[2-(4-chlorophenyl)ethylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[2-(4-chlorophenyl)ethylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[2-(4-chlorophenyl)ethylamino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-chlorophenyl)ethylcarbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[2-(4-chlorophenyl)ethylthiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C17H19ClN2O2S2 MolecularWeight: 382.92796

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NCCC2=CC=C(C=C2)Cl)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NCCC2=CC=C(C=C2)Cl)C(=O)OC

InChI

InChI=1S/C17H19ClN2O2S2/c1-3-13-10-14(16(21)22-2)15(24-13)20-17(23)19-9-8-11-4-6-12(18)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H2,19,20,23)