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

Systemtic Name: N-(2-ethylphenyl)-2-[4-[(2-methylphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-(o-tolylcarbamothioyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[(2-methylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[(2-methylphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-(o-tolylthiocarbamoyl)piperazin-1-ium-1-yl]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)NC3=CC=CC=C3C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=S)NC3=CC=CC=C3C

InChI

InChI=1S/C22H28N4OS/c1-3-18-9-5-7-11-20(18)23-21(27)16-25-12-14-26(15-13-25)22(28)24-19-10-6-4-8-17(19)2/h4-11H,3,12-16H2,1-2H3,(H,23,27)(H,24,28)/p+1