N-[3-(cyclohexylmethylsulfanyl)-1-[(4-nitrophenyl)methylamino]-1-oxidanylidene-propan-2-yl]-5-methyl-1,3-oxazole-2-carboxamide

Systemtic Name: N-[3-(cyclohexylmethylsulfanyl)-1-[(4-nitrophenyl)methylamino]-1-oxidanylidene-propan-2-yl]-5-methyl-1,3-oxazole-2-carboxamide Openeye Name: N-[1-(cyclohexylmethylsulfanylmethyl)-2-[(4-nitrophenyl)methylamino]-2-oxo-ethyl]-5-methyl-oxazole-2-carboxamide CAS Name: N-[3-(cyclohexylmethylthio)-1-[(4-nitrophenyl)methylamino]-1-oxopropan-2-yl]-5-methyl-2-oxazolecarboxamide IUPAC Name: N-[3-(cyclohexylmethylsulfanyl)-1-[(4-nitrophenyl)methylamino]-1-oxopropan-2-yl]-5-methyl-1,3-oxazole-2-carboxamide Traditional Name: N-[1-[(cyclohexylmethylthio)methyl]-2-keto-2-[(4-nitrobenzyl)amino]ethyl]-5-methyl-oxazole-2-carboxamide Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(O1)C(=O)NC(CSCC2CCCCC2)C(=O)NCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CN=C(O1)C(=O)NC(CSCC2CCCCC2)C(=O)NCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O5S/c1-15-11-24-22(31-15)21(28)25-19(14-32-13-17-5-3-2-4-6-17)20(27)23-12-16-7-9-18(10-8-16)26(29)30/h7-11,17,19H,2-6,12-14H2,1H3,(H,23,27)(H,25,28)