3-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]methyl]-N-naphthalen-2-ylsulfanyl-5-nitro-aniline

Systemtic Name: 3-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]methyl]-N-naphthalen-2-ylsulfanyl-5-nitro-aniline Openeye Name: 3-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]methyl]-N-(2-naphthylsulfanyl)-5-nitro-aniline CAS Name: N-[3-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]methyl]-5-nitrophenyl]-2-naphthalenesulfenamide IUPAC Name: 3-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]methyl]-N-naphthalen-2-ylsulfanyl-5-nitroaniline Traditional Name: [3-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]methyl]-5-nitro-phenyl]-(2-naphthylthio)amine Formula: C26H30N4O2S MolecularWeight: 462.607

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC2=CC(=CC(=C2)[N+](=O)[O-])NSC3=CC4=CC=CC=C4C=C3)CC5CC5

Isomeric SMILES

C1CN(CCN(C1)CC2=CC(=CC(=C2)[N+](=O)[O-])NSC3=CC4=CC=CC=C4C=C3)CC5CC5

InChI

InChI=1S/C26H30N4O2S/c31-30(32)25-15-21(19-29-11-3-10-28(12-13-29)18-20-6-7-20)14-24(17-25)27-33-26-9-8-22-4-1-2-5-23(22)16-26/h1-2,4-5,8-9,14-17,20,27H,3,6-7,10-13,18-19H2