N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoyl]pyrazolidine-1-carbothioamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoyl]pyrazolidine-1-carbothioamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]pyrazolidine-1-carbothioamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[1-oxo-2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]pyrazolidine-1-carbothioamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3-keto-1,4-benzoxazin-4-yl)acetyl]pyrazolidine-1-carbothioamide Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=S)N2CCCN2C(=O)CN3C(=O)COC4=CC=CC=C43

Isomeric SMILES

C1CCC(=CC1)CCNC(=S)N2CCCN2C(=O)CN3C(=O)COC4=CC=CC=C43

InChI

InChI=1S/C22H28N4O3S/c27-20(15-24-18-9-4-5-10-19(18)29-16-21(24)28)25-13-6-14-26(25)22(30)23-12-11-17-7-2-1-3-8-17/h4-5,7,9-10H,1-3,6,8,11-16H2,(H,23,30)