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

Systemtic Name: (3E)-3-(6-chloranyl-2-oxidanylidene-4-phenyl-quinolin-3-ylidene)-5-(3,4-dimethoxyphenyl)-N-phenyl-pyrazolidine-1-carbothioamide Openeye Name: (3E)-3-(6-chloro-2-oxo-4-phenyl-3-quinolylidene)-5-(3,4-dimethoxyphenyl)-N-phenyl-pyrazolidine-1-carbothioamide CAS Name: (3E)-3-(6-chloro-2-oxo-4-phenyl-3-quinolinylidene)-5-(3,4-dimethoxyphenyl)-N-phenyl-1-pyrazolidinecarbothioamide IUPAC Name: (3E)-3-(6-chloro-2-oxo-4-phenylquinolin-3-ylidene)-5-(3,4-dimethoxyphenyl)-N-phenylpyrazolidine-1-carbothioamide Traditional Name: (3E)-3-(6-chloro-2-keto-4-phenyl-3-quinolylidene)-5-(3,4-dimethoxyphenyl)-N-phenyl-pyrazolidine-1-carbothioamide Formula: C33H27ClN4O3S MolecularWeight: 595.11048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=C3C(=C4C=C(C=CC4=NC3=O)Cl)C5=CC=CC=C5)NN2C(=S)NC6=CC=CC=C6)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C/C(=C\3/C(=C4C=C(C=CC4=NC3=O)Cl)C5=CC=CC=C5)/NN2C(=S)NC6=CC=CC=C6)OC

InChI

InChI=1S/C33H27ClN4O3S/c1-40-28-16-13-21(17-29(28)41-2)27-19-26(37-38(27)33(42)35-23-11-7-4-8-12-23)31-30(20-9-5-3-6-10-20)24-18-22(34)14-15-25(24)36-32(31)39/h3-18,27,37H,19H2,1-2H3,(H,35,42)/b31-26+