N-[2-[2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidin-1-yl]-2-oxidanylidene-ethyl]-3-methyl-benzamide

Systemtic Name: N-[2-[2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidin-1-yl]-2-oxidanylidene-ethyl]-3-methyl-benzamide Openeye Name: N-[2-[2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidin-1-yl]-2-oxo-ethyl]-3-methyl-benzamide CAS Name: N-[2-[2-[[2-(1-cyclohexenyl)ethylamino]-sulfanylidenemethyl]-1-pyrazolidinyl]-2-oxoethyl]-3-methylbenzamide IUPAC Name: N-[2-[2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidin-1-yl]-2-oxoethyl]-3-methylbenzamide Traditional Name: N-[2-[2-[2-(cyclohexen-1-yl)ethylthiocarbamoyl]pyrazolidin-1-yl]-2-keto-ethyl]-3-methyl-benzamide Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC(=O)N2CCCN2C(=S)NCCC3=CCCCC3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC(=O)N2CCCN2C(=S)NCCC3=CCCCC3

InChI

InChI=1S/C22H30N4O2S/c1-17-7-5-10-19(15-17)21(28)24-16-20(27)25-13-6-14-26(25)22(29)23-12-11-18-8-3-2-4-9-18/h5,7-8,10,15H,2-4,6,9,11-14,16H2,1H3,(H,23,29)(H,24,28)