(3Z)-3-(6-chloranyl-2-oxidanylidene-4-phenyl-quinolin-3-ylidene)-5-(3,4-dimethoxyphenyl)-N-methyl-pyrazolidine-1-carbothioamide

Systemtic Name: (3Z)-3-(6-chloranyl-2-oxidanylidene-4-phenyl-quinolin-3-ylidene)-5-(3,4-dimethoxyphenyl)-N-methyl-pyrazolidine-1-carbothioamide Openeye Name: (3Z)-3-(6-chloro-2-oxo-4-phenyl-3-quinolylidene)-5-(3,4-dimethoxyphenyl)-N-methyl-pyrazolidine-1-carbothioamide CAS Name: (3Z)-3-(6-chloro-2-oxo-4-phenyl-3-quinolinylidene)-5-(3,4-dimethoxyphenyl)-N-methyl-1-pyrazolidinecarbothioamide IUPAC Name: (3Z)-3-(6-chloro-2-oxo-4-phenylquinolin-3-ylidene)-5-(3,4-dimethoxyphenyl)-N-methylpyrazolidine-1-carbothioamide Traditional Name: (3Z)-3-(6-chloro-2-keto-4-phenyl-3-quinolylidene)-5-(3,4-dimethoxyphenyl)-N-methyl-pyrazolidine-1-carbothioamide Formula: C28H25ClN4O3S MolecularWeight: 533.0411

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1C(CC(=C2C(=C3C=C(C=CC3=NC2=O)Cl)C4=CC=CC=C4)N1)C5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CNC(=S)N1C(C/C(=C/2\C(=C3C=C(C=CC3=NC2=O)Cl)C4=CC=CC=C4)/N1)C5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C28H25ClN4O3S/c1-30-28(37)33-22(17-9-12-23(35-2)24(13-17)36-3)15-21(32-33)26-25(16-7-5-4-6-8-16)19-14-18(29)10-11-20(19)31-27(26)34/h4-14,22,32H,15H2,1-3H3,(H,30,37)/b26-21-