N-[4-(azepan-1-yl)phenyl]-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-[4-(1-azepanyl)phenyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-4-(methylthio)-3-nitro-benzamide Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O3S/c1-27-19-11-6-15(14-18(19)23(25)26)20(24)21-16-7-9-17(10-8-16)22-12-4-2-3-5-13-22/h6-11,14H,2-5,12-13H2,1H3,(H,21,24)