ethyl 4-(2-chlorophenyl)-2-(cyclohexylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(2-chlorophenyl)-2-(cyclohexylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(2-chlorophenyl)-2-(cyclohexylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(2-chlorophenyl)-2-[[(cyclohexylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-chlorophenyl)-2-(cyclohexylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-(2-chlorophenyl)-2-(cyclohexylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C20H23ClN2O2S2 MolecularWeight: 422.99182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=S)NC3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=S)NC3CCCCC3

InChI

InChI=1S/C20H23ClN2O2S2/c1-2-25-19(24)17-15(14-10-6-7-11-16(14)21)12-27-18(17)23-20(26)22-13-8-4-3-5-9-13/h6-7,10-13H,2-5,8-9H2,1H3,(H2,22,23,26)