N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-phenylcyclopropyl)carbonyl-pyrazolidine-1-carbothioamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-phenylcyclopropyl)carbonyl-pyrazolidine-1-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-phenylcyclopropanecarbonyl)pyrazolidine-1-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[oxo-(1-phenylcyclopropyl)methyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-phenylcyclopropanecarbonyl)pyrazolidine-1-carbothioamide Traditional Name: N-homoveratryl-2-(1-phenylcyclopropanecarbonyl)pyrazolidine-1-carbothioamide Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)N2CCCN2C(=O)C3(CC3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)N2CCCN2C(=O)C3(CC3)C4=CC=CC=C4)OC

InChI

InChI=1S/C24H29N3O3S/c1-29-20-10-9-18(17-21(20)30-2)11-14-25-23(31)27-16-6-15-26(27)22(28)24(12-13-24)19-7-4-3-5-8-19/h3-5,7-10,17H,6,11-16H2,1-2H3,(H,25,31)