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

Systemtic Name: N-(3-methylbutyl)-3-nitro-4-phenylsulfanyl-benzamide Openeye Name: N-isopentyl-3-nitro-4-phenylsulfanyl-benzamide CAS Name: N-(3-methylbutyl)-3-nitro-4-(phenylthio)benzamide IUPAC Name: N-(3-methylbutyl)-3-nitro-4-phenylsulfanylbenzamide Traditional Name: N-isoamyl-3-nitro-4-(phenylthio)benzamide Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O3S/c1-13(2)10-11-19-18(21)14-8-9-17(16(12-14)20(22)23)24-15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,19,21)