2-[4-(cyclopentylcarbamothioyl)piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[4-(cyclopentylcarbamothioyl)piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-(cyclopentylcarbamothioyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[(cyclopentylamino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-(cyclopentylcarbamothioyl)piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-(cyclopentylthiocarbamoyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C19H29N4OS+ MolecularWeight: 361.52476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=S)NC3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=S)NC3CCCC3

InChI

InChI=1S/C19H28N4OS/c1-15-6-8-17(9-7-15)20-18(24)14-22-10-12-23(13-11-22)19(25)21-16-4-2-3-5-16/h6-9,16H,2-5,10-14H2,1H3,(H,20,24)(H,21,25)/p+1