N-naphthalen-2-ylsulfanyl-3-nitro-5-[(4-propyl-1,4-diazepan-1-yl)methyl]aniline

Systemtic Name: N-naphthalen-2-ylsulfanyl-3-nitro-5-[(4-propyl-1,4-diazepan-1-yl)methyl]aniline Openeye Name: N-(2-naphthylsulfanyl)-3-nitro-5-[(4-propyl-1,4-diazepan-1-yl)methyl]aniline CAS Name: N-[3-nitro-5-[(4-propyl-1,4-diazepan-1-yl)methyl]phenyl]-2-naphthalenesulfenamide IUPAC Name: N-naphthalen-2-ylsulfanyl-3-nitro-5-[(4-propyl-1,4-diazepan-1-yl)methyl]aniline Traditional Name: (2-naphthylthio)-[3-nitro-5-[(4-propyl-1,4-diazepan-1-yl)methyl]phenyl]amine Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCCN(CC1)CC2=CC(=CC(=C2)[N+](=O)[O-])NSC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCCN1CCCN(CC1)CC2=CC(=CC(=C2)[N+](=O)[O-])NSC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H30N4O2S/c1-2-10-27-11-5-12-28(14-13-27)19-20-15-23(18-24(16-20)29(30)31)26-32-25-9-8-21-6-3-4-7-22(21)17-25/h3-4,6-9,15-18,26H,2,5,10-14,19H2,1H3