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

Systemtic Name: 3-[(4-butyl-1,4-diazepan-1-yl)methyl]-4-chloranyl-N-naphthalen-2-ylsulfanyl-aniline Openeye Name: 3-[(4-butyl-1,4-diazepan-1-yl)methyl]-4-chloro-N-(2-naphthylsulfanyl)aniline CAS Name: N-[3-[(4-butyl-1,4-diazepan-1-yl)methyl]-4-chlorophenyl]-2-naphthalenesulfenamide IUPAC Name: 3-[(4-butyl-1,4-diazepan-1-yl)methyl]-4-chloro-N-naphthalen-2-ylsulfanylaniline Traditional Name: [3-[(4-butyl-1,4-diazepan-1-yl)methyl]-4-chloro-phenyl]-(2-naphthylthio)amine Formula: C26H32ClN3S MolecularWeight: 454.07038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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