methyl 2-[[4-[[1-(1H-imidazol-5-yl)-2,2,2-triphenyl-ethyl]amino]phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[4-[[1-(1H-imidazol-5-yl)-2,2,2-triphenyl-ethyl]amino]phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-[[1-(1H-imidazol-5-yl)-2,2,2-triphenyl-ethyl]amino]benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-[[1-(1H-imidazol-5-yl)-2,2,2-triphenylethyl]amino]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-[[1-(1H-imidazol-5-yl)-2,2,2-triphenylethyl]amino]benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-[[1-(1H-imidazol-5-yl)-2,2,2-triphenyl-ethyl]amino]benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C36H36N4O3S MolecularWeight: 604.76104

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC=C(C=C1)NC(C2=CN=CN2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=CC=C(C=C1)NC(C2=CN=CN2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C36H36N4O3S/c1-43-35(42)31(22-23-44-2)40-34(41)26-18-20-30(21-19-26)39-33(32-24-37-25-38-32)36(27-12-6-3-7-13-27,28-14-8-4-9-15-28)29-16-10-5-11-17-29/h3-21,24-25,31,33,39H,22-23H2,1-2H3,(H,37,38)(H,40,41)