butyl 4-[[2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbonylamino]benzoate Openeye Name: butyl 4-[[2-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzoyl]amino]benzoate CAS Name: 4-[[[2-[[2-(dimethylamino)-2-oxoethyl]thio]phenyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoyl]amino]benzoate Traditional Name: 4-[[2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzoyl]amino]benzoic acid butyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)N(C)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)N(C)C

InChI

InChI=1S/C22H26N2O4S/c1-4-5-14-28-22(27)16-10-12-17(13-11-16)23-21(26)18-8-6-7-9-19(18)29-15-20(25)24(2)3/h6-13H,4-5,14-15H2,1-3H3,(H,23,26)