2-(1-azanyl-3-methylsulfanyl-propyl)-N-[4-methyl-1-[(4-nitrophenyl)amino]-1-oxidanylidene-pentan-2-yl]-1,3-oxazole-4-carboxamide

Systemtic Name: 2-(1-azanyl-3-methylsulfanyl-propyl)-N-[4-methyl-1-[(4-nitrophenyl)amino]-1-oxidanylidene-pentan-2-yl]-1,3-oxazole-4-carboxamide Openeye Name: 2-(1-amino-3-methylsulfanyl-propyl)-N-[3-methyl-1-[(4-nitrophenyl)carbamoyl]butyl]oxazole-4-carboxamide CAS Name: 2-[1-amino-3-(methylthio)propyl]-N-[4-methyl-1-(4-nitroanilino)-1-oxopentan-2-yl]-4-oxazolecarboxamide IUPAC Name: 2-(1-amino-3-methylsulfanylpropyl)-N-[4-methyl-1-(4-nitroanilino)-1-oxopentan-2-yl]-1,3-oxazole-4-carboxamide Traditional Name: 2-[1-amino-3-(methylthio)propyl]-N-[3-methyl-1-[(4-nitrophenyl)carbamoyl]butyl]oxazole-4-carboxamide Formula: C20H27N5O5S MolecularWeight: 449.52388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=COC(=N2)C(CCSC)N

Isomeric SMILES

CC(C)CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=COC(=N2)C(CCSC)N

InChI

InChI=1S/C20H27N5O5S/c1-12(2)10-16(18(26)22-13-4-6-14(7-5-13)25(28)29)23-19(27)17-11-30-20(24-17)15(21)8-9-31-3/h4-7,11-12,15-16H,8-10,21H2,1-3H3,(H,22,26)(H,23,27)