[3-[[3-acetamido-4-(4-methylphenyl)sulfanyl-phenyl]carbonylamino]-2-methyl-propyl]-diethyl-azanium

Systemtic Name: [3-[[3-acetamido-4-(4-methylphenyl)sulfanyl-phenyl]carbonylamino]-2-methyl-propyl]-diethyl-azanium Openeye Name: [3-[[3-acetamido-4-(p-tolylsulfanyl)benzoyl]amino]-2-methyl-propyl]-diethyl-ammonium CAS Name: [3-[[[3-acetamido-4-[(4-methylphenyl)thio]phenyl]-oxomethyl]amino]-2-methylpropyl]-diethylammonium IUPAC Name: [3-[[3-acetamido-4-(4-methylphenyl)sulfanylbenzoyl]amino]-2-methylpropyl]-diethylazanium Traditional Name: [3-[[3-acetamido-4-(p-tolylthio)benzoyl]amino]-2-methyl-propyl]-diethyl-ammonium Formula: C24H34N3O2S+ MolecularWeight: 428.61066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N3O2S/c1-6-27(7-2)16-18(4)15-25-24(29)20-10-13-23(22(14-20)26-19(5)28)30-21-11-8-17(3)9-12-21/h8-14,18H,6-7,15-16H2,1-5H3,(H,25,29)(H,26,28)/p+1