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

Systemtic Name: 4-chloranyl-3-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]methyl]-N-naphthalen-2-ylsulfanyl-aniline Openeye Name: 4-chloro-3-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]methyl]-N-(2-naphthylsulfanyl)aniline CAS Name: N-[4-chloro-3-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]methyl]phenyl]-2-naphthalenesulfenamide IUPAC Name: 4-chloro-3-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]methyl]-N-naphthalen-2-ylsulfanylaniline Traditional Name: [4-chloro-3-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]methyl]phenyl]-(2-naphthylthio)amine Formula: C26H30ClN3S MolecularWeight: 452.0545

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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