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

Systemtic Name: 2-methoxy-N-naphthalen-2-ylsulfanyl-5-[(4-pentyl-1,4-diazepan-1-yl)methyl]aniline Openeye Name: 2-methoxy-N-(2-naphthylsulfanyl)-5-[(4-pentyl-1,4-diazepan-1-yl)methyl]aniline CAS Name: N-[2-methoxy-5-[(4-pentyl-1,4-diazepan-1-yl)methyl]phenyl]-2-naphthalenesulfenamide IUPAC Name: 2-methoxy-N-naphthalen-2-ylsulfanyl-5-[(4-pentyl-1,4-diazepan-1-yl)methyl]aniline Traditional Name: [5-[(4-amyl-1,4-diazepan-1-yl)methyl]-2-methoxy-phenyl]-(2-naphthylthio)amine Formula: C28H37N3OS MolecularWeight: 463.67788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CCCN(CC1)CC2=CC(=C(C=C2)OC)NSC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCCCCN1CCCN(CC1)CC2=CC(=C(C=C2)OC)NSC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H37N3OS/c1-3-4-7-15-30-16-8-17-31(19-18-30)22-23-11-14-28(32-2)27(20-23)29-33-26-13-12-24-9-5-6-10-25(24)21-26/h5-6,9-14,20-21,29H,3-4,7-8,15-19,22H2,1-2H3