N-(2-ethylphenyl)-2-[4-[(3-methoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[(3-methoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[(3-methoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[(3-methoxyanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[(3-methoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[(3-methoxyphenyl)thiocarbamoyl]piperazin-1-ium-1-yl]acetamide Formula: C22H29N4O2S+ MolecularWeight: 413.55626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=S)NC3=CC(=CC=C3)OC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=S)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C22H28N4O2S/c1-3-17-7-4-5-10-20(17)24-21(27)16-25-11-13-26(14-12-25)22(29)23-18-8-6-9-19(15-18)28-2/h4-10,15H,3,11-14,16H2,1-2H3,(H,23,29)(H,24,27)/p+1