N-(2,3-dimethylphenyl)-2-[4-(prop-2-enylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-(prop-2-enylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(allylcarbamothioyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[(prop-2-enylamino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-(prop-2-enylcarbamothioyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(allylthiocarbamoyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide Formula: C18H27N4OS+ MolecularWeight: 347.49818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4OS/c1-4-8-19-18(24)22-11-9-21(10-12-22)13-17(23)20-16-7-5-6-14(2)15(16)3/h4-7H,1,8-13H2,2-3H3,(H,19,24)(H,20,23)/p+1