N-[(2R)-3-(cyclohexylmethylsulfanyl)-1-[(4-nitrophenyl)methylamino]-1-oxidanylidene-propan-2-yl]-1H-imidazole-5-carboxamide

Systemtic Name: N-[(2R)-3-(cyclohexylmethylsulfanyl)-1-[(4-nitrophenyl)methylamino]-1-oxidanylidene-propan-2-yl]-1H-imidazole-5-carboxamide Openeye Name: N-[(1R)-1-(cyclohexylmethylsulfanylmethyl)-2-[(4-nitrophenyl)methylamino]-2-oxo-ethyl]-1H-imidazole-5-carboxamide CAS Name: N-[(2R)-3-(cyclohexylmethylthio)-1-[(4-nitrophenyl)methylamino]-1-oxopropan-2-yl]-1H-imidazole-5-carboxamide IUPAC Name: N-[(2R)-3-(cyclohexylmethylsulfanyl)-1-[(4-nitrophenyl)methylamino]-1-oxopropan-2-yl]-1H-imidazole-5-carboxamide Traditional Name: N-[(1R)-1-[(cyclohexylmethylthio)methyl]-2-keto-2-[(4-nitrobenzyl)amino]ethyl]-1H-imidazole-5-carboxamide Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CSCC(C(=O)NCC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CN=CN3

Isomeric SMILES

C1CCC(CC1)CSC[C@@H](C(=O)NCC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CN=CN3

InChI

InChI=1S/C21H27N5O4S/c27-20(23-10-15-6-8-17(9-7-15)26(29)30)19(25-21(28)18-11-22-14-24-18)13-31-12-16-4-2-1-3-5-16/h6-9,11,14,16,19H,1-5,10,12-13H2,(H,22,24)(H,23,27)(H,25,28)/t19-/m0/s1