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

Systemtic Name: 5-[(4-butyl-1,4-diazepan-1-yl)methyl]-2-methyl-N-naphthalen-2-ylsulfanyl-aniline Openeye Name: 5-[(4-butyl-1,4-diazepan-1-yl)methyl]-2-methyl-N-(2-naphthylsulfanyl)aniline CAS Name: N-[5-[(4-butyl-1,4-diazepan-1-yl)methyl]-2-methylphenyl]-2-naphthalenesulfenamide IUPAC Name: 5-[(4-butyl-1,4-diazepan-1-yl)methyl]-2-methyl-N-naphthalen-2-ylsulfanylaniline Traditional Name: [5-[(4-butyl-1,4-diazepan-1-yl)methyl]-2-methyl-phenyl]-(2-naphthylthio)amine Formula: C27H35N3S MolecularWeight: 433.6519

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N3S/c1-3-4-14-29-15-7-16-30(18-17-29)21-23-11-10-22(2)27(19-23)28-31-26-13-12-24-8-5-6-9-25(24)20-26/h5-6,8-13,19-20,28H,3-4,7,14-18,21H2,1-2H3