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

Systemtic Name: 2-[[3-acetamido-4-(4-chlorophenyl)sulfanyl-phenyl]carbonylamino]ethyl-diethyl-azanium Openeye Name: 2-[[3-acetamido-4-(4-chlorophenyl)sulfanyl-benzoyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[[3-acetamido-4-[(4-chlorophenyl)thio]phenyl]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[3-acetamido-4-(4-chlorophenyl)sulfanylbenzoyl]amino]ethyl-diethylazanium Traditional Name: 2-[[3-acetamido-4-[(4-chlorophenyl)thio]benzoyl]amino]ethyl-diethyl-ammonium Formula: C21H27ClN3O2S+ MolecularWeight: 420.97598

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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)Cl)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O2S/c1-4-25(5-2)13-12-23-21(27)16-6-11-20(19(14-16)24-15(3)26)28-18-9-7-17(22)8-10-18/h6-11,14H,4-5,12-13H2,1-3H3,(H,23,27)(H,24,26)/p+1