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

Systemtic Name: (3E)-3-(6-chloranyl-2-oxidanylidene-4-phenyl-quinolin-3-ylidene)-5-(2-methoxyphenyl)-N-(phenylmethyl)pyrazolidine-1-carbothioamide Openeye Name: (3E)-N-benzyl-3-(6-chloro-2-oxo-4-phenyl-3-quinolylidene)-5-(2-methoxyphenyl)pyrazolidine-1-carbothioamide CAS Name: (3E)-3-(6-chloro-2-oxo-4-phenyl-3-quinolinylidene)-5-(2-methoxyphenyl)-N-(phenylmethyl)-1-pyrazolidinecarbothioamide IUPAC Name: (3E)-N-benzyl-3-(6-chloro-2-oxo-4-phenylquinolin-3-ylidene)-5-(2-methoxyphenyl)pyrazolidine-1-carbothioamide Traditional Name: (3E)-N-benzyl-3-(6-chloro-2-keto-4-phenyl-3-quinolylidene)-5-(2-methoxyphenyl)pyrazolidine-1-carbothioamide Formula: C33H27ClN4O2S MolecularWeight: 579.11108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2CC(=C3C(=C4C=C(C=CC4=NC3=O)Cl)C5=CC=CC=C5)NN2C(=S)NCC6=CC=CC=C6

Isomeric SMILES

COC1=CC=CC=C1C2C/C(=C\3/C(=C4C=C(C=CC4=NC3=O)Cl)C5=CC=CC=C5)/NN2C(=S)NCC6=CC=CC=C6

InChI

InChI=1S/C33H27ClN4O2S/c1-40-29-15-9-8-14-24(29)28-19-27(37-38(28)33(41)35-20-21-10-4-2-5-11-21)31-30(22-12-6-3-7-13-22)25-18-23(34)16-17-26(25)36-32(31)39/h2-18,28,37H,19-20H2,1H3,(H,35,41)/b31-27+