3-methoxy-4-(3-methylbutoxy)-N'-[(2S)-2-(4-nitrophenyl)sulfanylpropanoyl]benzohydrazide

Systemtic Name: 3-methoxy-4-(3-methylbutoxy)-N'-[(2S)-2-(4-nitrophenyl)sulfanylpropanoyl]benzohydrazide Openeye Name: 4-isopentyloxy-3-methoxy-N'-[(2S)-2-(4-nitrophenyl)sulfanylpropanoyl]benzohydrazide CAS Name: 3-methoxy-4-(3-methylbutoxy)-N'-[(2S)-2-[(4-nitrophenyl)thio]-1-oxopropyl]benzohydrazide IUPAC Name: 3-methoxy-4-(3-methylbutoxy)-N'-[(2S)-2-(4-nitrophenyl)sulfanylpropanoyl]benzohydrazide Traditional Name: 4-isoamoxy-3-methoxy-N'-[(2S)-2-[(4-nitrophenyl)thio]propanoyl]benzohydrazide Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NNC(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

C[C@@H](C(=O)NNC(=O)C1=CC(=C(C=C1)OCCC(C)C)OC)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O6S/c1-14(2)11-12-31-19-10-5-16(13-20(19)30-4)22(27)24-23-21(26)15(3)32-18-8-6-17(7-9-18)25(28)29/h5-10,13-15H,11-12H2,1-4H3,(H,23,26)(H,24,27)/t15-/m0/s1