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

Systemtic Name: (3Z)-3-(6-bromanyl-2-oxidanylidene-4-phenyl-quinolin-3-ylidene)-5-(2,5-dimethoxyphenyl)-N-methyl-pyrazolidine-1-carbothioamide Openeye Name: (3Z)-3-(6-bromo-2-oxo-4-phenyl-3-quinolylidene)-5-(2,5-dimethoxyphenyl)-N-methyl-pyrazolidine-1-carbothioamide CAS Name: (3Z)-3-(6-bromo-2-oxo-4-phenyl-3-quinolinylidene)-5-(2,5-dimethoxyphenyl)-N-methyl-1-pyrazolidinecarbothioamide IUPAC Name: (3Z)-3-(6-bromo-2-oxo-4-phenylquinolin-3-ylidene)-5-(2,5-dimethoxyphenyl)-N-methylpyrazolidine-1-carbothioamide Traditional Name: (3Z)-3-(6-bromo-2-keto-4-phenyl-3-quinolylidene)-5-(2,5-dimethoxyphenyl)-N-methyl-pyrazolidine-1-carbothioamide Formula: C28H25BrN4O3S MolecularWeight: 577.4921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H25BrN4O3S/c1-30-28(37)33-23(20-14-18(35-2)10-12-24(20)36-3)15-22(32-33)26-25(16-7-5-4-6-8-16)19-13-17(29)9-11-21(19)31-27(26)34/h4-14,23,32H,15H2,1-3H3,(H,30,37)/b26-22-