N-(5-chloranyl-2-methoxy-phenyl)-2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]pyrazolidine-1-carboxamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]pyrazolidine-1-carboxamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]pyrazolidine-1-carboxamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]-1-pyrazolidinecarboxamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]pyrazolidine-1-carboxamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-(homoveratrylthiocarbamoyl)pyrazolidine-1-carboxamide Formula: C22H27ClN4O4S MolecularWeight: 478.99218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)N2CCCN2C(=S)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)N2CCCN2C(=S)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H27ClN4O4S/c1-29-18-8-6-16(23)14-17(18)25-21(28)26-11-4-12-27(26)22(32)24-10-9-15-5-7-19(30-2)20(13-15)31-3/h5-8,13-14H,4,9-12H2,1-3H3,(H,24,32)(H,25,28)