ethyl 4-[2-[3-[(4-methylphenyl)methylamino]-3-oxidanylidene-propyl]sulfanylethanoylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSCCC(=O)NCC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSCCC(=O)NCC2=CC=C(C=C2)C

InChI

InChI=1S/C22H26N2O4S/c1-3-28-22(27)18-8-10-19(11-9-18)24-21(26)15-29-13-12-20(25)23-14-17-6-4-16(2)5-7-17/h4-11H,3,12-15H2,1-2H3,(H,23,25)(H,24,26)