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

Systemtic Name: 3-[(4-butyl-1,4-diazepan-1-yl)methyl]-4-methoxy-N-naphthalen-2-ylsulfanyl-aniline Openeye Name: 3-[(4-butyl-1,4-diazepan-1-yl)methyl]-4-methoxy-N-(2-naphthylsulfanyl)aniline CAS Name: N-[3-[(4-butyl-1,4-diazepan-1-yl)methyl]-4-methoxyphenyl]-2-naphthalenesulfenamide IUPAC Name: 3-[(4-butyl-1,4-diazepan-1-yl)methyl]-4-methoxy-N-naphthalen-2-ylsulfanylaniline Traditional Name: [3-[(4-butyl-1,4-diazepan-1-yl)methyl]-4-methoxy-phenyl]-(2-naphthylthio)amine Formula: C27H35N3OS MolecularWeight: 449.6513

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCCN(CC1)CC2=C(C=CC(=C2)NSC3=CC4=CC=CC=C4C=C3)OC

Isomeric SMILES

CCCCN1CCCN(CC1)CC2=C(C=CC(=C2)NSC3=CC4=CC=CC=C4C=C3)OC

InChI

InChI=1S/C27H35N3OS/c1-3-4-14-29-15-7-16-30(18-17-29)21-24-19-25(11-13-27(24)31-2)28-32-26-12-10-22-8-5-6-9-23(22)20-26/h5-6,8-13,19-20,28H,3-4,7,14-18,21H2,1-2H3