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

Systemtic Name: methyl 4-[[2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbonylamino]benzoate Openeye Name: methyl 4-[[2-[2-(cyclohexylmethylamino)-2-oxo-ethyl]sulfanylbenzoyl]amino]benzoate CAS Name: 4-[[[2-[[2-(cyclohexylmethylamino)-2-oxoethyl]thio]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzoyl]amino]benzoate Traditional Name: 4-[[2-[[2-(cyclohexylmethylamino)-2-keto-ethyl]thio]benzoyl]amino]benzoic acid methyl ester Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O4S/c1-30-24(29)18-11-13-19(14-12-18)26-23(28)20-9-5-6-10-21(20)31-16-22(27)25-15-17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8,15-16H2,1H3,(H,25,27)(H,26,28)