4-[1,4-diazepan-1-yl-(4-methylsulfanylphenyl)methyl]-N,N-dimethyl-aniline

Systemtic Name: 4-[1,4-diazepan-1-yl-(4-methylsulfanylphenyl)methyl]-N,N-dimethyl-aniline Openeye Name: 4-[1,4-diazepan-1-yl-(4-methylsulfanylphenyl)methyl]-N,N-dimethyl-aniline CAS Name: 4-[1,4-diazepan-1-yl-[4-(methylthio)phenyl]methyl]-N,N-dimethylaniline IUPAC Name: 4-[1,4-diazepan-1-yl-(4-methylsulfanylphenyl)methyl]-N,N-dimethylaniline Traditional Name: [4-[1,4-diazepan-1-yl-[4-(methylthio)phenyl]methyl]phenyl]-dimethyl-amine Formula: C21H29N3S MolecularWeight: 355.54006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)SC)N3CCCNCC3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)SC)N3CCCNCC3

InChI

InChI=1S/C21H29N3S/c1-23(2)19-9-5-17(6-10-19)21(24-15-4-13-22-14-16-24)18-7-11-20(25-3)12-8-18/h5-12,21-22H,4,13-16H2,1-3H3