4-[(4-methylphenyl)sulfanylmethyl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide

Systemtic Name: 4-[(4-methylphenyl)sulfanylmethyl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide Openeye Name: N-[3-(4-methylpiperazin-1-yl)propyl]-4-(p-tolylsulfanylmethyl)benzamide CAS Name: 4-[[(4-methylphenyl)thio]methyl]-N-[3-(4-methyl-1-piperazinyl)propyl]benzamide IUPAC Name: 4-[(4-methylphenyl)sulfanylmethyl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide Traditional Name: N-[3-(4-methylpiperazino)propyl]-4-[(p-tolylthio)methyl]benzamide Formula: C23H31N3OS MolecularWeight: 397.57674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)NCCCN3CCN(CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)NCCCN3CCN(CC3)C

InChI

InChI=1S/C23H31N3OS/c1-19-4-10-22(11-5-19)28-18-20-6-8-21(9-7-20)23(27)24-12-3-13-26-16-14-25(2)15-17-26/h4-11H,3,12-18H2,1-2H3,(H,24,27)