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

Systemtic Name: 3-[(4-methylsulfanylphenyl)-piperazin-1-yl-methyl]quinoline Openeye Name: 3-[(4-methylsulfanylphenyl)-piperazin-1-yl-methyl]quinoline CAS Name: 3-[[4-(methylthio)phenyl]-(1-piperazinyl)methyl]quinoline IUPAC Name: 3-[(4-methylsulfanylphenyl)-piperazin-1-ylmethyl]quinoline Traditional Name: 3-[[4-(methylthio)phenyl]-piperazino-methyl]quinoline Formula: C21H23N3S MolecularWeight: 349.49242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCNCC4

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCNCC4

InChI

InChI=1S/C21H23N3S/c1-25-19-8-6-16(7-9-19)21(24-12-10-22-11-13-24)18-14-17-4-2-3-5-20(17)23-15-18/h2-9,14-15,21-22H,10-13H2,1H3