2-[2-[2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-N-pyridin-2-yl-ethanamide

Systemtic Name: 2-[2-[2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-N-pyridin-2-yl-ethanamide Openeye Name: 2-[2-[2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidin-1-yl]-2-oxo-ethyl]sulfanyl-N-(2-pyridyl)acetamide CAS Name: 2-[[2-[2-[[2-(1-cyclohexenyl)ethylamino]-sulfanylidenemethyl]-1-pyrazolidinyl]-2-oxoethyl]thio]-N-(2-pyridinyl)acetamide IUPAC Name: 2-[2-[2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidin-1-yl]-2-oxoethyl]sulfanyl-N-pyridin-2-ylacetamide Traditional Name: 2-[[2-[2-[2-(cyclohexen-1-yl)ethylthiocarbamoyl]pyrazolidin-1-yl]-2-keto-ethyl]thio]-N-(2-pyridyl)acetamide Formula: C21H29N5O2S2 MolecularWeight: 447.61726

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=S)N2CCCN2C(=O)CSCC(=O)NC3=CC=CC=N3

Isomeric SMILES

C1CCC(=CC1)CCNC(=S)N2CCCN2C(=O)CSCC(=O)NC3=CC=CC=N3

InChI

InChI=1S/C21H29N5O2S2/c27-19(24-18-9-4-5-11-22-18)15-30-16-20(28)25-13-6-14-26(25)21(29)23-12-10-17-7-2-1-3-8-17/h4-5,7,9,11H,1-3,6,8,10,12-16H2,(H,23,29)(H,22,24,27)