N-(3-methoxypropyl)-2-[4-[(2-methylphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-methoxypropyl)-2-[4-[(2-methylphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-methoxypropyl)-2-[4-(o-tolylcarbamothioyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-methoxypropyl)-2-[4-[(2-methylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-methoxypropyl)-2-[4-[(2-methylphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-methoxypropyl)-2-[4-(o-tolylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C18H29N4O2S+ MolecularWeight: 365.51346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2CC[NH+](CC2)CC(=O)NCCCOC

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2CC[NH+](CC2)CC(=O)NCCCOC

InChI

InChI=1S/C18H28N4O2S/c1-15-6-3-4-7-16(15)20-18(25)22-11-9-21(10-12-22)14-17(23)19-8-5-13-24-2/h3-4,6-7H,5,8-14H2,1-2H3,(H,19,23)(H,20,25)/p+1