N-(2-ethylphenyl)-2-[4-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[[3-(4-morpholin-4-iumyl)propylamino]-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-(3-morpholin-4-ium-4-ylpropylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C22H37N5O2S+2 MolecularWeight: 435.62648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N5O2S/c1-2-19-6-3-4-7-20(19)24-21(28)18-26-10-12-27(13-11-26)22(30)23-8-5-9-25-14-16-29-17-15-25/h3-4,6-7H,2,5,8-18H2,1H3,(H,23,30)(H,24,28)/p+2