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

Systemtic Name: ethyl 4-[[2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbonylamino]benzoate Openeye Name: ethyl 4-[[2-[2-(cyclohexylmethylamino)-2-oxo-ethyl]sulfanylbenzoyl]amino]benzoate CAS Name: 4-[[[2-[[2-(cyclohexylmethylamino)-2-oxoethyl]thio]phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzoyl]amino]benzoate Traditional Name: 4-[[2-[[2-(cyclohexylmethylamino)-2-keto-ethyl]thio]benzoyl]amino]benzoic acid ethyl ester Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)NCC3CCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)NCC3CCCCC3

InChI

InChI=1S/C25H30N2O4S/c1-2-31-25(30)19-12-14-20(15-13-19)27-24(29)21-10-6-7-11-22(21)32-17-23(28)26-16-18-8-4-3-5-9-18/h6-7,10-15,18H,2-5,8-9,16-17H2,1H3,(H,26,28)(H,27,29)