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

Systemtic Name: N-[(4-chlorophenyl)methyl]-6-(morpholin-4-ylmethyl)-4-oxidanylidene-1H-quinoline-3-carbothioamide Openeye Name: N-[(4-chlorophenyl)methyl]-6-(morpholinomethyl)-4-oxo-1H-quinoline-3-carbothioamide CAS Name: N-[(4-chlorophenyl)methyl]-6-(4-morpholinylmethyl)-4-oxo-1H-quinoline-3-carbothioamide IUPAC Name: N-[(4-chlorophenyl)methyl]-6-(morpholin-4-ylmethyl)-4-oxo-1H-quinoline-3-carbothioamide Traditional Name: N-(4-chlorobenzyl)-4-keto-6-(morpholinomethyl)-1H-quinoline-3-carbothioamide Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC3=C(C=C2)NC=C(C3=O)C(=S)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1COCCN1CC2=CC3=C(C=C2)NC=C(C3=O)C(=S)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H22ClN3O2S/c23-17-4-1-15(2-5-17)12-25-22(29)19-13-24-20-6-3-16(11-18(20)21(19)27)14-26-7-9-28-10-8-26/h1-6,11,13H,7-10,12,14H2,(H,24,27)(H,25,29)