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

Systemtic Name: methyl 2-[2-(4-chlorophenyl)ethylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[2-(4-chlorophenyl)ethylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[2-(4-chlorophenyl)ethylamino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-chlorophenyl)ethylcarbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[2-(4-chlorophenyl)ethylthiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H19ClN2O2S2 MolecularWeight: 430.97076

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCCC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H19ClN2O2S2/c1-26-20(25)17-13-18(15-5-3-2-4-6-15)28-19(17)24-21(27)23-12-11-14-7-9-16(22)10-8-14/h2-10,13H,11-12H2,1H3,(H2,23,24,27)