N-(2-chlorophenyl)-2-[4-(cyclohexylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chlorophenyl)-2-[4-(cyclohexylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-(cyclohexylcarbamothioyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-[(cyclohexylamino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-(cyclohexylcarbamothioyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-(cyclohexylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C19H28ClN4OS+ MolecularWeight: 395.96982

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

C1CCC(CC1)NC(=S)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C19H27ClN4OS/c20-16-8-4-5-9-17(16)22-18(25)14-23-10-12-24(13-11-23)19(26)21-15-6-2-1-3-7-15/h4-5,8-9,15H,1-3,6-7,10-14H2,(H,21,26)(H,22,25)/p+1