N-[(4-chlorophenyl)methyl]-6-(hydroxymethyl)-4-oxidanylidene-1H-quinoline-3-carbothioamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-6-(hydroxymethyl)-4-oxidanylidene-1H-quinoline-3-carbothioamide Openeye Name: N-[(4-chlorophenyl)methyl]-6-(hydroxymethyl)-4-oxo-1H-quinoline-3-carbothioamide CAS Name: N-[(4-chlorophenyl)methyl]-6-(hydroxymethyl)-4-oxo-1H-quinoline-3-carbothioamide IUPAC Name: N-[(4-chlorophenyl)methyl]-6-(hydroxymethyl)-4-oxo-1H-quinoline-3-carbothioamide Traditional Name: N-(4-chlorobenzyl)-4-keto-6-methylol-1H-quinoline-3-carbothioamide Formula: C18H15ClN2O2S MolecularWeight: 358.8419

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=S)C2=CNC3=C(C2=O)C=C(C=C3)CO)Cl

Isomeric SMILES

C1=CC(=CC=C1CNC(=S)C2=CNC3=C(C2=O)C=C(C=C3)CO)Cl

InChI

InChI=1S/C18H15ClN2O2S/c19-13-4-1-11(2-5-13)8-21-18(24)15-9-20-16-6-3-12(10-22)7-14(16)17(15)23/h1-7,9,22H,8,10H2,(H,20,23)(H,21,24)