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

Systemtic Name: N-(3-butoxypropyl)-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-(3-butoxypropyl)-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-(3-butoxypropyl)-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-(3-butoxypropyl)-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-(3-butoxypropyl)-4-(methylthio)-3-nitro-benzamide Formula: C15H22N2O4S MolecularWeight: 326.41118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O4S/c1-3-4-9-21-10-5-8-16-15(18)12-6-7-14(22-2)13(11-12)17(19)20/h6-7,11H,3-5,8-10H2,1-2H3,(H,16,18)