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

Systemtic Name: 3-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]methyl]-2-methyl-N-naphthalen-2-ylsulfanyl-aniline Openeye Name: 3-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]methyl]-2-methyl-N-(2-naphthylsulfanyl)aniline CAS Name: N-[3-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]methyl]-2-methylphenyl]-2-naphthalenesulfenamide IUPAC Name: 3-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]methyl]-2-methyl-N-naphthalen-2-ylsulfanylaniline Traditional Name: [3-[[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=CC=C1NSC2=CC3=CC=CC=C3C=C2)CN4CCCN(CC4)CC5CC5

Isomeric SMILES

CC1=C(C=CC=C1NSC2=CC3=CC=CC=C3C=C2)CN4CCCN(CC4)CC5CC5

InChI

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