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

Systemtic Name: 3-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]methyl]-4-methoxy-N-naphthalen-2-ylsulfanyl-aniline Openeye Name: 3-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]methyl]-4-methoxy-N-(2-naphthylsulfanyl)aniline CAS Name: N-[3-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]methyl]-4-methoxyphenyl]-2-naphthalenesulfenamide IUPAC Name: 3-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]methyl]-4-methoxy-N-naphthalen-2-ylsulfanylaniline Traditional Name: [3-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]methyl]-4-methoxy-phenyl]-(2-naphthylthio)amine Formula: C27H33N3OS MolecularWeight: 447.63542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NSC2=CC3=CC=CC=C3C=C2)CN4CCCN(CC4)CC5CC5

Isomeric SMILES

COC1=C(C=C(C=C1)NSC2=CC3=CC=CC=C3C=C2)CN4CCCN(CC4)CC5CC5

InChI

InChI=1S/C27H33N3OS/c1-31-27-12-10-25(28-32-26-11-9-22-5-2-3-6-23(22)18-26)17-24(27)20-30-14-4-13-29(15-16-30)19-21-7-8-21/h2-3,5-6,9-12,17-18,21,28H,4,7-8,13-16,19-20H2,1H3