(3E)-5-(3-methoxy-4-oxidanyl-phenyl)-N-(2-methoxyphenyl)-3-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)pyrazolidine-1-carbothioamide

Systemtic Name: (3E)-5-(3-methoxy-4-oxidanyl-phenyl)-N-(2-methoxyphenyl)-3-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)pyrazolidine-1-carbothioamide Openeye Name: (3E)-5-(4-hydroxy-3-methoxy-phenyl)-N-(2-methoxyphenyl)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)pyrazolidine-1-carbothioamide CAS Name: (3E)-5-(4-hydroxy-3-methoxyphenyl)-N-(2-methoxyphenyl)-3-(6-oxo-1-cyclohexa-2,4-dienylidene)-1-pyrazolidinecarbothioamide IUPAC Name: (3E)-5-(4-hydroxy-3-methoxyphenyl)-N-(2-methoxyphenyl)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)pyrazolidine-1-carbothioamide Traditional Name: (3E)-5-(4-hydroxy-3-methoxy-phenyl)-3-(6-ketocyclohexa-2,4-dien-1-ylidene)-N-(2-methoxyphenyl)pyrazolidine-1-carbothioamide Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)N2C(CC(=C3C=CC=CC3=O)N2)C4=CC(=C(C=C4)O)OC

Isomeric SMILES

COC1=CC=CC=C1NC(=S)N2C(C/C(=C\3/C=CC=CC3=O)/N2)C4=CC(=C(C=C4)O)OC

InChI

InChI=1S/C24H23N3O4S/c1-30-22-10-6-4-8-17(22)25-24(32)27-19(15-11-12-21(29)23(13-15)31-2)14-18(26-27)16-7-3-5-9-20(16)28/h3-13,19,26,29H,14H2,1-2H3,(H,25,32)/b18-16+