N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoyl]pyrazolidine-1-carbothioamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoyl]pyrazolidine-1-carbothioamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(2-oxo-1,3-benzothiazol-3-yl)acetyl]pyrazolidine-1-carbothioamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[1-oxo-2-(2-oxo-1,3-benzothiazol-3-yl)ethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(2-oxo-1,3-benzothiazol-3-yl)acetyl]pyrazolidine-1-carbothioamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(2-keto-1,3-benzothiazol-3-yl)acetyl]pyrazolidine-1-carbothioamide Formula: C21H26N4O2S2 MolecularWeight: 430.58674

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=S)N2CCCN2C(=O)CN3C4=CC=CC=C4SC3=O

Isomeric SMILES

C1CCC(=CC1)CCNC(=S)N2CCCN2C(=O)CN3C4=CC=CC=C4SC3=O

InChI

InChI=1S/C21H26N4O2S2/c26-19(15-23-17-9-4-5-10-18(17)29-21(23)27)24-13-6-14-25(24)20(28)22-12-11-16-7-2-1-3-8-16/h4-5,7,9-10H,1-3,6,8,11-15H2,(H,22,28)