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

Systemtic Name: N-naphthalen-2-ylsulfanyl-3-nitro-5-[(4-pentyl-1,4-diazepan-1-yl)methyl]aniline Openeye Name: N-(2-naphthylsulfanyl)-3-nitro-5-[(4-pentyl-1,4-diazepan-1-yl)methyl]aniline CAS Name: N-[3-nitro-5-[(4-pentyl-1,4-diazepan-1-yl)methyl]phenyl]-2-naphthalenesulfenamide IUPAC Name: N-naphthalen-2-ylsulfanyl-3-nitro-5-[(4-pentyl-1,4-diazepan-1-yl)methyl]aniline Traditional Name: [3-[(4-amyl-1,4-diazepan-1-yl)methyl]-5-nitro-phenyl]-(2-naphthylthio)amine Formula: C27H34N4O2S MolecularWeight: 478.64946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CCCN(CC1)CC2=CC(=CC(=C2)[N+](=O)[O-])NSC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCCCCN1CCCN(CC1)CC2=CC(=CC(=C2)[N+](=O)[O-])NSC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H34N4O2S/c1-2-3-6-12-29-13-7-14-30(16-15-29)21-22-17-25(20-26(18-22)31(32)33)28-34-27-11-10-23-8-4-5-9-24(23)19-27/h4-5,8-11,17-20,28H,2-3,6-7,12-16,21H2,1H3