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

Systemtic Name: N-(2-ethylphenyl)-2-[4-(2-morpholin-4-ium-4-ylethylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-(2-morpholin-4-ium-4-ylethylcarbamothioyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[[2-(4-morpholin-4-iumyl)ethylamino]-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-(2-morpholin-4-ium-4-ylethylcarbamothioyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-(2-morpholin-4-ium-4-ylethylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C21H35N5O2S+2 MolecularWeight: 421.5999

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=S)NCC[NH+]3CCOCC3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=S)NCC[NH+]3CCOCC3

InChI

InChI=1S/C21H33N5O2S/c1-2-18-5-3-4-6-19(18)23-20(27)17-25-9-11-26(12-10-25)21(29)22-7-8-24-13-15-28-16-14-24/h3-6H,2,7-17H2,1H3,(H,22,29)(H,23,27)/p+2