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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(4-methoxyphenyl)cyclopropyl]carbonyl-pyrazolidine-1-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidine-1-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[1-(4-methoxyphenyl)cyclopropyl]-oxomethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidine-1-carbothioamide Traditional Name: N-homoveratryl-2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidine-1-carbothioamide Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2(CC2)C(=O)N3CCCN3C(=S)NCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2(CC2)C(=O)N3CCCN3C(=S)NCCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H31N3O4S/c1-30-20-8-6-19(7-9-20)25(12-13-25)23(29)27-15-4-16-28(27)24(33)26-14-11-18-5-10-21(31-2)22(17-18)32-3/h5-10,17H,4,11-16H2,1-3H3,(H,26,33)