ethyl 4-[2-[4-[(2-methylphenyl)carbonylamino]phenyl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[4-[(2-methylphenyl)carbonylamino]phenyl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[4-[(2-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[4-[[(2-methylphenyl)-oxomethyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-[(2-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[4-(o-toluoylamino)phenyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C25H24N2O4S/c1-3-31-25(30)18-8-10-19(11-9-18)26-23(28)16-32-21-14-12-20(13-15-21)27-24(29)22-7-5-4-6-17(22)2/h4-15H,3,16H2,1-2H3,(H,26,28)(H,27,29)