methyl 3-[(4-chlorophenyl)methylcarbamothioyl]-4-oxidanylidene-1H-quinoline-6-carboxylate

Systemtic Name: methyl 3-[(4-chlorophenyl)methylcarbamothioyl]-4-oxidanylidene-1H-quinoline-6-carboxylate Openeye Name: methyl 3-[(4-chlorophenyl)methylcarbamothioyl]-4-oxo-1H-quinoline-6-carboxylate CAS Name: 3-[[(4-chlorophenyl)methylamino]-sulfanylidenemethyl]-4-oxo-1H-quinoline-6-carboxylic acid methyl ester IUPAC Name: methyl 3-[(4-chlorophenyl)methylcarbamothioyl]-4-oxo-1H-quinoline-6-carboxylate Traditional Name: 3-[(4-chlorobenzyl)thiocarbamoyl]-4-keto-1H-quinoline-6-carboxylic acid methyl ester Formula: C19H15ClN2O3S MolecularWeight: 386.852

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)NC=C(C2=O)C(=S)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)NC=C(C2=O)C(=S)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H15ClN2O3S/c1-25-19(24)12-4-7-16-14(8-12)17(23)15(10-21-16)18(26)22-9-11-2-5-13(20)6-3-11/h2-8,10H,9H2,1H3,(H,21,23)(H,22,26)