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

Systemtic Name: 3-[(4-butyl-1,4-diazepan-1-yl)methyl]-2-methyl-N-naphthalen-2-ylsulfanyl-aniline Openeye Name: 3-[(4-butyl-1,4-diazepan-1-yl)methyl]-2-methyl-N-(2-naphthylsulfanyl)aniline CAS Name: N-[3-[(4-butyl-1,4-diazepan-1-yl)methyl]-2-methylphenyl]-2-naphthalenesulfenamide IUPAC Name: 3-[(4-butyl-1,4-diazepan-1-yl)methyl]-2-methyl-N-naphthalen-2-ylsulfanylaniline Traditional Name: [3-[(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=C(C(=CC=C2)NSC3=CC4=CC=CC=C4C=C3)C

Isomeric SMILES

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

InChI

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