N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3,4-trimethoxyphenyl)carbonyl-pyrazolidine-1-carbothioamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3,4-trimethoxyphenyl)carbonyl-pyrazolidine-1-carbothioamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3,4-trimethoxybenzoyl)pyrazolidine-1-carbothioamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[oxo-(2,3,4-trimethoxyphenyl)methyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3,4-trimethoxybenzoyl)pyrazolidine-1-carbothioamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3,4-trimethoxybenzoyl)pyrazolidine-1-carbothioamide Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)N2CCCN2C(=S)NCCC3=CCCCC3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)N2CCCN2C(=S)NCCC3=CCCCC3)OC)OC

InChI

InChI=1S/C22H31N3O4S/c1-27-18-11-10-17(19(28-2)20(18)29-3)21(26)24-14-7-15-25(24)22(30)23-13-12-16-8-5-4-6-9-16/h8,10-11H,4-7,9,12-15H2,1-3H3,(H,23,30)