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

Systemtic Name: 5-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]methyl]-2-methyl-N-naphthalen-2-ylsulfanyl-aniline Openeye Name: 5-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]methyl]-2-methyl-N-(2-naphthylsulfanyl)aniline CAS Name: N-[5-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]methyl]-2-methylphenyl]-2-naphthalenesulfenamide IUPAC Name: 5-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]methyl]-2-methyl-N-naphthalen-2-ylsulfanylaniline Traditional Name: [5-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]methyl]-2-methyl-phenyl]-(2-naphthylthio)amine Formula: C27H33N3S MolecularWeight: 431.63602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN2CCCN(CC2)CC3CC3)NSC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC1=C(C=C(C=C1)CN2CCCN(CC2)CC3CC3)NSC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H33N3S/c1-21-7-8-23(20-30-14-4-13-29(15-16-30)19-22-9-10-22)17-27(21)28-31-26-12-11-24-5-2-3-6-25(24)18-26/h2-3,5-8,11-12,17-18,22,28H,4,9-10,13-16,19-20H2,1H3