N-[2-(4-methylphenyl)sulfanyl-5-(4-methylpiperazin-4-ium-1-yl)carbonyl-phenyl]ethanamide

Systemtic Name: N-[2-(4-methylphenyl)sulfanyl-5-(4-methylpiperazin-4-ium-1-yl)carbonyl-phenyl]ethanamide Openeye Name: N-[5-(4-methylpiperazin-4-ium-1-carbonyl)-2-(p-tolylsulfanyl)phenyl]acetamide CAS Name: N-[2-[(4-methylphenyl)thio]-5-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]acetamide IUPAC Name: N-[2-(4-methylphenyl)sulfanyl-5-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]acetamide Traditional Name: N-[5-(4-methylpiperazin-4-ium-1-carbonyl)-2-(p-tolylthio)phenyl]acetamide Formula: C21H26N3O2S+ MolecularWeight: 384.51504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)C)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)C)NC(=O)C

InChI

InChI=1S/C21H25N3O2S/c1-15-4-7-18(8-5-15)27-20-9-6-17(14-19(20)22-16(2)25)21(26)24-12-10-23(3)11-13-24/h4-9,14H,10-13H2,1-3H3,(H,22,25)/p+1