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

Systemtic Name: 2-[[3-acetamido-4-(4-methylphenyl)sulfanyl-phenyl]carbonylamino]ethyl-diethyl-azanium Openeye Name: 2-[[3-acetamido-4-(p-tolylsulfanyl)benzoyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[[3-acetamido-4-[(4-methylphenyl)thio]phenyl]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[3-acetamido-4-(4-methylphenyl)sulfanylbenzoyl]amino]ethyl-diethylazanium Traditional Name: 2-[[3-acetamido-4-(p-tolylthio)benzoyl]amino]ethyl-diethyl-ammonium Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O2S/c1-5-25(6-2)14-13-23-22(27)18-9-12-21(20(15-18)24-17(4)26)28-19-10-7-16(3)8-11-19/h7-12,15H,5-6,13-14H2,1-4H3,(H,23,27)(H,24,26)/p+1