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

Systemtic Name: 2-[4-(cyclopentylcarbamothioyl)piperazin-1-ium-1-yl]-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-[4-(cyclopentylcarbamothioyl)piperazin-1-ium-1-yl]-N-(4-methoxyphenyl)acetamide CAS Name: 2-[4-[(cyclopentylamino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[4-(cyclopentylcarbamothioyl)piperazin-1-ium-1-yl]-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[4-(cyclopentylthiocarbamoyl)piperazin-1-ium-1-yl]-N-(4-methoxyphenyl)acetamide Formula: C19H29N4O2S+ MolecularWeight: 377.52416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=S)NC3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=S)NC3CCCC3

InChI

InChI=1S/C19H28N4O2S/c1-25-17-8-6-16(7-9-17)20-18(24)14-22-10-12-23(13-11-22)19(26)21-15-4-2-3-5-15/h6-9,15H,2-5,10-14H2,1H3,(H,20,24)(H,21,26)/p+1