3-[[3-acetamido-4-(4-methylphenyl)sulfanyl-phenyl]carbonylamino]propyl-diethyl-azanium

Systemtic Name: 3-[[3-acetamido-4-(4-methylphenyl)sulfanyl-phenyl]carbonylamino]propyl-diethyl-azanium Openeye Name: 3-[[3-acetamido-4-(p-tolylsulfanyl)benzoyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[[3-acetamido-4-[(4-methylphenyl)thio]phenyl]-oxomethyl]amino]propyl-diethylammonium IUPAC Name: 3-[[3-acetamido-4-(4-methylphenyl)sulfanylbenzoyl]amino]propyl-diethylazanium Traditional Name: 3-[[3-acetamido-4-(p-tolylthio)benzoyl]amino]propyl-diethyl-ammonium Formula: C23H32N3O2S+ MolecularWeight: 414.58408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O2S/c1-5-26(6-2)15-7-14-24-23(28)19-10-13-22(21(16-19)25-18(4)27)29-20-11-8-17(3)9-12-20/h8-13,16H,5-7,14-15H2,1-4H3,(H,24,28)(H,25,27)/p+1