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

Systemtic Name: 4-(3-methylbutylsulfanyl)-3-nitro-N-propyl-benzamide Openeye Name: 4-isopentylsulfanyl-3-nitro-N-propyl-benzamide CAS Name: 4-(3-methylbutylthio)-3-nitro-N-propylbenzamide IUPAC Name: 4-(3-methylbutylsulfanyl)-3-nitro-N-propylbenzamide Traditional Name: 4-(isoamylthio)-3-nitro-N-propyl-benzamide Formula: C15H22N2O3S MolecularWeight: 310.41178

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC(=C(C=C1)SCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)C1=CC(=C(C=C1)SCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C15H22N2O3S/c1-4-8-16-15(18)12-5-6-14(13(10-12)17(19)20)21-9-7-11(2)3/h5-6,10-11H,4,7-9H2,1-3H3,(H,16,18)