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

Systemtic Name: 2-chloranyl-5-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]methyl]-N-naphthalen-2-ylsulfanyl-aniline Openeye Name: 2-chloro-5-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]methyl]-N-(2-naphthylsulfanyl)aniline CAS Name: N-[2-chloro-5-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]methyl]phenyl]-2-naphthalenesulfenamide IUPAC Name: 2-chloro-5-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]methyl]-N-naphthalen-2-ylsulfanylaniline Traditional Name: [2-chloro-5-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]methyl]phenyl]-(2-naphthylthio)amine Formula: C26H30ClN3S MolecularWeight: 452.0545

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC2=CC(=C(C=C2)Cl)NSC3=CC4=CC=CC=C4C=C3)CC5CC5

Isomeric SMILES

C1CN(CCN(C1)CC2=CC(=C(C=C2)Cl)NSC3=CC4=CC=CC=C4C=C3)CC5CC5

InChI

InChI=1S/C26H30ClN3S/c27-25-11-8-21(19-30-13-3-12-29(14-15-30)18-20-6-7-20)16-26(25)28-31-24-10-9-22-4-1-2-5-23(22)17-24/h1-2,4-5,8-11,16-17,20,28H,3,6-7,12-15,18-19H2