2-[4-(cyclohexylcarbamothioyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-(cyclohexylcarbamothioyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-(cyclohexylcarbamothioyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-[(cyclohexylamino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-(cyclohexylcarbamothioyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-(cyclohexylthiocarbamoyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C21H33N4OS+ MolecularWeight: 389.57792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=S)NC3CCCCC3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=S)NC3CCCCC3

InChI

InChI=1S/C21H32N4OS/c1-16-7-6-8-17(2)20(16)23-19(26)15-24-11-13-25(14-12-24)21(27)22-18-9-4-3-5-10-18/h6-8,18H,3-5,9-15H2,1-2H3,(H,22,27)(H,23,26)/p+1