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

Systemtic Name: N-(2-ethylphenyl)-2-[4-[(phenylmethyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzylcarbamothioyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[[(phenylmethyl)amino]-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-(benzylcarbamothioyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[4-(benzylthiocarbamoyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Formula: C22H29N4OS+ MolecularWeight: 397.55686

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C22H28N4OS/c1-2-19-10-6-7-11-20(19)24-21(27)17-25-12-14-26(15-13-25)22(28)23-16-18-8-4-3-5-9-18/h3-11H,2,12-17H2,1H3,(H,23,28)(H,24,27)/p+1