N-[(4-chlorophenyl)methyl]-1-methyl-4-oxidanylidene-6-(3-oxidanylprop-1-ynyl)quinoline-3-carbothioamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-1-methyl-4-oxidanylidene-6-(3-oxidanylprop-1-ynyl)quinoline-3-carbothioamide Openeye Name: N-[(4-chlorophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-1-methyl-4-oxo-quinoline-3-carbothioamide CAS Name: N-[(4-chlorophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-1-methyl-4-oxo-3-quinolinecarbothioamide IUPAC Name: N-[(4-chlorophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-1-methyl-4-oxoquinoline-3-carbothioamide Traditional Name: N-(4-chlorobenzyl)-6-(3-hydroxyprop-1-ynyl)-4-keto-1-methyl-quinoline-3-carbothioamide Formula: C21H17ClN2O2S MolecularWeight: 396.88988

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=C1C=CC(=C2)C#CCO)C(=S)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C=C(C(=O)C2=C1C=CC(=C2)C#CCO)C(=S)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H17ClN2O2S/c1-24-13-18(21(27)23-12-15-4-7-16(22)8-5-15)20(26)17-11-14(3-2-10-25)6-9-19(17)24/h4-9,11,13,25H,10,12H2,1H3,(H,23,27)