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

Systemtic Name: N-[(4-chlorophenyl)methyl]-1-methyl-6-(morpholin-4-ylmethyl)-4-oxidanylidene-quinoline-3-carbothioamide Openeye Name: N-[(4-chlorophenyl)methyl]-1-methyl-6-(morpholinomethyl)-4-oxo-quinoline-3-carbothioamide CAS Name: N-[(4-chlorophenyl)methyl]-1-methyl-6-(4-morpholinylmethyl)-4-oxo-3-quinolinecarbothioamide IUPAC Name: N-[(4-chlorophenyl)methyl]-1-methyl-6-(morpholin-4-ylmethyl)-4-oxoquinoline-3-carbothioamide Traditional Name: N-(4-chlorobenzyl)-4-keto-1-methyl-6-(morpholinomethyl)quinoline-3-carbothioamide Formula: C23H24ClN3O2S MolecularWeight: 441.97356

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=C1C=CC(=C2)CN3CCOCC3)C(=S)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C=C(C(=O)C2=C1C=CC(=C2)CN3CCOCC3)C(=S)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H24ClN3O2S/c1-26-15-20(23(30)25-13-16-2-5-18(24)6-3-16)22(28)19-12-17(4-7-21(19)26)14-27-8-10-29-11-9-27/h2-7,12,15H,8-11,13-14H2,1H3,(H,25,30)