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

Systemtic Name: N-(2-ethylphenyl)-2-[4-(2-methylprop-2-enylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-(2-methylallylcarbamothioyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[(2-methylprop-2-enylamino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-(2-methylprop-2-enylcarbamothioyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-(2-methylallylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C19H29N4OS+ MolecularWeight: 361.52476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4OS/c1-4-16-7-5-6-8-17(16)21-18(24)14-22-9-11-23(12-10-22)19(25)20-13-15(2)3/h5-8H,2,4,9-14H2,1,3H3,(H,20,25)(H,21,24)/p+1