(3Z)-5-(4-dimethylaminophenyl)-N-(2-methoxyphenyl)-3-(3-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)pyrazolidine-1-carbothioamide

Systemtic Name: (3Z)-5-(4-dimethylaminophenyl)-N-(2-methoxyphenyl)-3-(3-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)pyrazolidine-1-carbothioamide Openeye Name: (3Z)-5-(4-dimethylaminophenyl)-N-(2-methoxyphenyl)-3-(3-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)pyrazolidine-1-carbothioamide CAS Name: (3Z)-5-(4-dimethylaminophenyl)-N-(2-methoxyphenyl)-3-(3-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)-1-pyrazolidinecarbothioamide IUPAC Name: (3Z)-5-(4-dimethylaminophenyl)-N-(2-methoxyphenyl)-3-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)pyrazolidine-1-carbothioamide Traditional Name: (3Z)-5-(4-dimethylaminophenyl)-3-(4-keto-3-methyl-cyclohexa-2,5-dien-1-ylidene)-N-(2-methoxyphenyl)pyrazolidine-1-carbothioamide Formula: C26H28N4O2S MolecularWeight: 460.59112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2CC(N(N2)C(=S)NC3=CC=CC=C3OC)C4=CC=C(C=C4)N(C)C)C=CC1=O

Isomeric SMILES

CC1=C/C(=C\2/CC(N(N2)C(=S)NC3=CC=CC=C3OC)C4=CC=C(C=C4)N(C)C)/C=CC1=O

InChI

InChI=1S/C26H28N4O2S/c1-17-15-19(11-14-24(17)31)22-16-23(18-9-12-20(13-10-18)29(2)3)30(28-22)26(33)27-21-7-5-6-8-25(21)32-4/h5-15,23,28H,16H2,1-4H3,(H,27,33)/b22-19-