N-(3-methylbutyl)-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-(3-methylbutyl)-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-isopentyl-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-(3-methylbutyl)-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-(3-methylbutyl)-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-isoamyl-4-(methylthio)-3-nitro-benzamide Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CC(=C(C=C1)SC)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC(=O)C1=CC(=C(C=C1)SC)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O3S/c1-9(2)6-7-14-13(16)10-4-5-12(19-3)11(8-10)15(17)18/h4-5,8-9H,6-7H2,1-3H3,(H,14,16)