2-[[3-acetamido-4-(4-methylphenyl)sulfanyl-phenyl]carbonylamino]ethyl-butyl-methyl-azanium

Systemtic Name: 2-[[3-acetamido-4-(4-methylphenyl)sulfanyl-phenyl]carbonylamino]ethyl-butyl-methyl-azanium Openeye Name: 2-[[3-acetamido-4-(p-tolylsulfanyl)benzoyl]amino]ethyl-butyl-methyl-ammonium CAS Name: 2-[[[3-acetamido-4-[(4-methylphenyl)thio]phenyl]-oxomethyl]amino]ethyl-butyl-methylammonium IUPAC Name: 2-[[3-acetamido-4-(4-methylphenyl)sulfanylbenzoyl]amino]ethyl-butyl-methylazanium Traditional Name: 2-[[3-acetamido-4-(p-tolylthio)benzoyl]amino]ethyl-butyl-methyl-ammonium Formula: C23H32N3O2S+ MolecularWeight: 414.58408

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CCNC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)C)NC(=O)C

Isomeric SMILES

CCCC[NH+](C)CCNC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)C)NC(=O)C

InChI

InChI=1S/C23H31N3O2S/c1-5-6-14-26(4)15-13-24-23(28)19-9-12-22(21(16-19)25-18(3)27)29-20-10-7-17(2)8-11-20/h7-12,16H,5-6,13-15H2,1-4H3,(H,24,28)(H,25,27)/p+1