ethyl 4-[2-[3-[(3-ethylphenyl)amino]-3-oxidanylidene-propyl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-[(3-ethylphenyl)amino]-3-oxidanylidene-propyl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[3-(3-ethylanilino)-3-oxo-propyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[3-(3-ethylanilino)-3-oxopropyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-(3-ethylanilino)-3-oxopropyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-(3-ethylanilino)-3-keto-propyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)CCSCC(=O)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)CCSCC(=O)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C22H26N2O4S/c1-3-16-6-5-7-19(14-16)24-20(25)12-13-29-15-21(26)23-18-10-8-17(9-11-18)22(27)28-4-2/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,23,26)(H,24,25)