N-[3-[2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidin-1-yl]-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-[2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidin-1-yl]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidin-1-yl]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-[2-[[2-(1-cyclohexenyl)ethylamino]-sulfanylidenemethyl]-1-pyrazolidinyl]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-[2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidin-1-yl]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-[2-[2-(cyclohexen-1-yl)ethylthiocarbamoyl]pyrazolidin-1-yl]-3-keto-propyl]-4-nitro-benzamide Formula: C22H29N5O4S MolecularWeight: 459.56176

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=S)N2CCCN2C(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=CC1)CCNC(=S)N2CCCN2C(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H29N5O4S/c28-20(12-14-23-21(29)18-7-9-19(10-8-18)27(30)31)25-15-4-16-26(25)22(32)24-13-11-17-5-2-1-3-6-17/h5,7-10H,1-4,6,11-16H2,(H,23,29)(H,24,32)