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

Systemtic Name: 5-[(4-butyl-1,4-diazepan-1-yl)methyl]-2-chloranyl-N-naphthalen-2-ylsulfanyl-aniline Openeye Name: 5-[(4-butyl-1,4-diazepan-1-yl)methyl]-2-chloro-N-(2-naphthylsulfanyl)aniline CAS Name: N-[5-[(4-butyl-1,4-diazepan-1-yl)methyl]-2-chlorophenyl]-2-naphthalenesulfenamide IUPAC Name: 5-[(4-butyl-1,4-diazepan-1-yl)methyl]-2-chloro-N-naphthalen-2-ylsulfanylaniline Traditional Name: [5-[(4-butyl-1,4-diazepan-1-yl)methyl]-2-chloro-phenyl]-(2-naphthylthio)amine Formula: C26H32ClN3S MolecularWeight: 454.07038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32ClN3S/c1-2-3-13-29-14-6-15-30(17-16-29)20-21-9-12-25(27)26(18-21)28-31-24-11-10-22-7-4-5-8-23(22)19-24/h4-5,7-12,18-19,28H,2-3,6,13-17,20H2,1H3