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

Systemtic Name: propyl 4-[[2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbonylamino]benzoate Openeye Name: propyl 4-[[2-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzoyl]amino]benzoate CAS Name: 4-[[[2-[[2-(dimethylamino)-2-oxoethyl]thio]phenyl]-oxomethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoyl]amino]benzoate Traditional Name: 4-[[2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzoyl]amino]benzoic acid propyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c1-4-13-27-21(26)15-9-11-16(12-10-15)22-20(25)17-7-5-6-8-18(17)28-14-19(24)23(2)3/h5-12H,4,13-14H2,1-3H3,(H,22,25)