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

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-[(3-methoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-[(3-methoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[(3-methoxyanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-[(3-methoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-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:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=S)NC3=CC(=CC=C3)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=S)NC3=CC(=CC=C3)OC)C

InChI

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