(3S)-5-(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)-3-(2-methoxyphenyl)-N-methyl-1,3-dihydropyrazole-2-carbothioamide

Systemtic Name: (3S)-5-(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)-3-(2-methoxyphenyl)-N-methyl-1,3-dihydropyrazole-2-carbothioamide Openeye Name: (3S)-5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(2-methoxyphenyl)-N-methyl-1,3-dihydropyrazole-2-carbothioamide CAS Name: (3S)-5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(2-methoxyphenyl)-N-methyl-1,3-dihydropyrazole-2-carbothioamide IUPAC Name: (3S)-5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(2-methoxyphenyl)-N-methyl-1,3-dihydropyrazole-2-carbothioamide Traditional Name: (5S)-3-(6-chloro-2-keto-4-phenyl-1H-quinolin-3-yl)-5-(2-methoxyphenyl)-N-methyl-3-pyrazoline-1-carbothioamide Formula: C27H23ClN4O2S MolecularWeight: 503.01512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1C(C=C(N1)C2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4)C5=CC=CC=C5OC

Isomeric SMILES

CNC(=S)N1[C@@H](C=C(N1)C2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4)C5=CC=CC=C5OC

InChI

InChI=1S/C27H23ClN4O2S/c1-29-27(35)32-22(18-10-6-7-11-23(18)34-2)15-21(31-32)25-24(16-8-4-3-5-9-16)19-14-17(28)12-13-20(19)30-26(25)33/h3-15,22,31H,1-2H3,(H,29,35)(H,30,33)/t22-/m0/s1