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

Systemtic Name: 3-[(4-butyl-1,4-diazepan-1-yl)methyl]-N-naphthalen-2-ylsulfanyl-5-nitro-aniline Openeye Name: 3-[(4-butyl-1,4-diazepan-1-yl)methyl]-N-(2-naphthylsulfanyl)-5-nitro-aniline CAS Name: N-[3-[(4-butyl-1,4-diazepan-1-yl)methyl]-5-nitrophenyl]-2-naphthalenesulfenamide IUPAC Name: 3-[(4-butyl-1,4-diazepan-1-yl)methyl]-N-naphthalen-2-ylsulfanyl-5-nitroaniline Traditional Name: [3-[(4-butyl-1,4-diazepan-1-yl)methyl]-5-nitro-phenyl]-(2-naphthylthio)amine Formula: C26H32N4O2S MolecularWeight: 464.62288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCCN(CC1)CC2=CC(=CC(=C2)[N+](=O)[O-])NSC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCCCN1CCCN(CC1)CC2=CC(=CC(=C2)[N+](=O)[O-])NSC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H32N4O2S/c1-2-3-11-28-12-6-13-29(15-14-28)20-21-16-24(19-25(17-21)30(31)32)27-33-26-10-9-22-7-4-5-8-23(22)18-26/h4-5,7-10,16-19,27H,2-3,6,11-15,20H2,1H3