N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(2-nitrophenoxy)ethanoyl]pyrazolidine-1-carbothioamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(2-nitrophenoxy)ethanoyl]pyrazolidine-1-carbothioamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(2-nitrophenoxy)acetyl]pyrazolidine-1-carbothioamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[2-(2-nitrophenoxy)-1-oxoethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(2-nitrophenoxy)acetyl]pyrazolidine-1-carbothioamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(2-nitrophenoxy)acetyl]pyrazolidine-1-carbothioamide Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=S)N2CCCN2C(=O)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCC(=CC1)CCNC(=S)N2CCCN2C(=O)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O4S/c25-19(15-28-18-10-5-4-9-17(18)24(26)27)22-13-6-14-23(22)20(29)21-12-11-16-7-2-1-3-8-16/h4-5,7,9-10H,1-3,6,8,11-15H2,(H,21,29)