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

Systemtic Name: 4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-N-(4-propan-2-ylphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(4-isopropylphenyl)-4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-N-p-cumenyl-piperazin-4-ium-1-carbothioamide Formula: C21H35N5OS+2 MolecularWeight: 405.6005

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CC(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CC(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C21H33N5OS/c1-17(2)18-4-6-19(7-5-18)22-21(28)26-14-10-24(11-15-26)16-20(27)25-12-8-23(3)9-13-25/h4-7,17H,8-16H2,1-3H3,(H,22,28)/p+2