N,N-dimethyl-2-[3-[4-(2-methylsulfanylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide

Systemtic Name: N,N-dimethyl-2-[3-[4-(2-methylsulfanylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide Openeye Name: N,N-dimethyl-2-[3-[4-(2-methylsulfanylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide CAS Name: N,N-dimethyl-2-[3-[4-[2-(methylthio)phenyl]-1-piperazinyl]propylamino]-3-pyridinecarboxamide IUPAC Name: N,N-dimethyl-2-[3-[4-(2-methylsulfanylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide Traditional Name: N,N-dimethyl-2-[3-[4-[2-(methylthio)phenyl]piperazino]propylamino]nicotinamide Formula: C22H31N5OS MolecularWeight: 413.57944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=C(N=CC=C1)NCCCN2CCN(CC2)C3=CC=CC=C3SC

Isomeric SMILES

CN(C)C(=O)C1=C(N=CC=C1)NCCCN2CCN(CC2)C3=CC=CC=C3SC

InChI

InChI=1S/C22H31N5OS/c1-25(2)22(28)18-8-6-11-23-21(18)24-12-7-13-26-14-16-27(17-15-26)19-9-4-5-10-20(19)29-3/h4-6,8-11H,7,12-17H2,1-3H3,(H,23,24)