N-(3-methoxypropyl)-4-(3-methylbutylsulfanyl)-3-nitro-benzamide

Systemtic Name: N-(3-methoxypropyl)-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: 4-isopentylsulfanyl-N-(3-methoxypropyl)-3-nitro-benzamide CAS Name: N-(3-methoxypropyl)-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-(3-methoxypropyl)-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: 4-(isoamylthio)-N-(3-methoxypropyl)-3-nitro-benzamide Formula: C16H24N2O4S MolecularWeight: 340.43776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)NCCCOC)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)NCCCOC)[N+](=O)[O-]

InChI

InChI=1S/C16H24N2O4S/c1-12(2)7-10-23-15-6-5-13(11-14(15)18(20)21)16(19)17-8-4-9-22-3/h5-6,11-12H,4,7-10H2,1-3H3,(H,17,19)