N-(2-ethylphenyl)-2-[4-(2-methoxyethylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-(2-methoxyethylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-(2-methoxyethylcarbamothioyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[(2-methoxyethylamino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-(2-methoxyethylcarbamothioyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-(2-methoxyethylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C18H29N4O2S+ MolecularWeight: 365.51346

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=S)NCCOC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=S)NCCOC

InChI

InChI=1S/C18H28N4O2S/c1-3-15-6-4-5-7-16(15)20-17(23)14-21-9-11-22(12-10-21)18(25)19-8-13-24-2/h4-7H,3,8-14H2,1-2H3,(H,19,25)(H,20,23)/p+1