tert-butyl 4-[[3-(cyclohexylmethylsulfanyl)-1-[(4-nitrophenyl)methylamino]-1-oxidanylidene-propan-2-yl]carbamoyl]imidazole-1-carboxylate

Systemtic Name: tert-butyl 4-[[3-(cyclohexylmethylsulfanyl)-1-[(4-nitrophenyl)methylamino]-1-oxidanylidene-propan-2-yl]carbamoyl]imidazole-1-carboxylate Openeye Name: tert-butyl 4-[[1-(cyclohexylmethylsulfanylmethyl)-2-[(4-nitrophenyl)methylamino]-2-oxo-ethyl]carbamoyl]imidazole-1-carboxylate CAS Name: 4-[[[3-(cyclohexylmethylthio)-1-[(4-nitrophenyl)methylamino]-1-oxopropan-2-yl]amino]-oxomethyl]-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-(cyclohexylmethylsulfanyl)-1-[(4-nitrophenyl)methylamino]-1-oxopropan-2-yl]carbamoyl]imidazole-1-carboxylate Traditional Name: 4-[[1-[(cyclohexylmethylthio)methyl]-2-keto-2-[(4-nitrobenzyl)amino]ethyl]carbamoyl]imidazole-1-carboxylic acid tert-butyl ester Formula: C26H35N5O6S MolecularWeight: 545.651

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(N=C1)C(=O)NC(CSCC2CCCCC2)C(=O)NCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(N=C1)C(=O)NC(CSCC2CCCCC2)C(=O)NCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H35N5O6S/c1-26(2,3)37-25(34)30-14-21(28-17-30)24(33)29-22(16-38-15-19-7-5-4-6-8-19)23(32)27-13-18-9-11-20(12-10-18)31(35)36/h9-12,14,17,19,22H,4-8,13,15-16H2,1-3H3,(H,27,32)(H,29,33)