N-(1,3-benzodioxol-5-yl)-4-(3-methylbutylsulfanyl)-3-nitro-benzamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-isopentylsulfanyl-3-nitro-benzamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-(isoamylthio)-3-nitro-benzamide Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O5S/c1-12(2)7-8-27-18-6-3-13(9-15(18)21(23)24)19(22)20-14-4-5-16-17(10-14)26-11-25-16/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,20,22)