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

Systemtic Name: 2-methyl-N-naphthalen-2-ylsulfanyl-3-[(4-pentyl-1,4-diazepan-1-yl)methyl]aniline Openeye Name: 2-methyl-N-(2-naphthylsulfanyl)-3-[(4-pentyl-1,4-diazepan-1-yl)methyl]aniline CAS Name: N-[2-methyl-3-[(4-pentyl-1,4-diazepan-1-yl)methyl]phenyl]-2-naphthalenesulfenamide IUPAC Name: 2-methyl-N-naphthalen-2-ylsulfanyl-3-[(4-pentyl-1,4-diazepan-1-yl)methyl]aniline Traditional Name: [3-[(4-amyl-1,4-diazepan-1-yl)methyl]-2-methyl-phenyl]-(2-naphthylthio)amine Formula: C28H37N3S MolecularWeight: 447.67848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CCCN(CC1)CC2=C(C(=CC=C2)NSC3=CC4=CC=CC=C4C=C3)C

Isomeric SMILES

CCCCCN1CCCN(CC1)CC2=C(C(=CC=C2)NSC3=CC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C28H37N3S/c1-3-4-7-16-30-17-9-18-31(20-19-30)22-26-12-8-13-28(23(26)2)29-32-27-15-14-24-10-5-6-11-25(24)21-27/h5-6,8,10-15,21,29H,3-4,7,9,16-20,22H2,1-2H3