2-[[2-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]carbonylamino]ethyl-diethyl-azanium

Systemtic Name: 2-[[2-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]carbonylamino]ethyl-diethyl-azanium Openeye Name: 2-[[2-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]sulfanylbenzoyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[[2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]thio]phenyl]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzoyl]amino]ethyl-diethylazanium Traditional Name: 2-[[2-[[2-(3,4-dimethoxyanilino)-2-keto-ethyl]thio]benzoyl]amino]ethyl-diethyl-ammonium Formula: C23H32N3O4S+ MolecularWeight: 446.58288

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1=CC=CC=C1SCC(=O)NC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1=CC=CC=C1SCC(=O)NC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C23H31N3O4S/c1-5-26(6-2)14-13-24-23(28)18-9-7-8-10-21(18)31-16-22(27)25-17-11-12-19(29-3)20(15-17)30-4/h7-12,15H,5-6,13-14,16H2,1-4H3,(H,24,28)(H,25,27)/p+1