4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(4-propan-2-ylphenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(4-propan-2-ylphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(4-isopropylphenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[2-(1-azepanyl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-[2-(azepan-1-yl)-2-keto-ethyl]-N-p-cumenyl-piperazin-4-ium-1-carbothioamide Formula: C22H35N4OS+ MolecularWeight: 403.6045

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CC(=O)N3CCCCCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C22H34N4OS/c1-18(2)19-7-9-20(10-8-19)23-22(28)26-15-13-24(14-16-26)17-21(27)25-11-5-3-4-6-12-25/h7-10,18H,3-6,11-17H2,1-2H3,(H,23,28)/p+1