3-[1,4-diazepan-1-yl-(4-methylsulfanylphenyl)methyl]quinoline

Systemtic Name: 3-[1,4-diazepan-1-yl-(4-methylsulfanylphenyl)methyl]quinoline Openeye Name: 3-[1,4-diazepan-1-yl-(4-methylsulfanylphenyl)methyl]quinoline CAS Name: 3-[1,4-diazepan-1-yl-[4-(methylthio)phenyl]methyl]quinoline IUPAC Name: 3-[1,4-diazepan-1-yl-(4-methylsulfanylphenyl)methyl]quinoline Traditional Name: 3-[1,4-diazepan-1-yl-[4-(methylthio)phenyl]methyl]quinoline Formula: C22H25N3S MolecularWeight: 363.519

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCCNCC4

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCCNCC4

InChI

InChI=1S/C22H25N3S/c1-26-20-9-7-17(8-10-20)22(25-13-4-11-23-12-14-25)19-15-18-5-2-3-6-21(18)24-16-19/h2-3,5-10,15-16,22-23H,4,11-14H2,1H3