2-(4-methylphenyl)sulfanyl-N-[3-(4-methylpiperazin-1-yl)propyl]aniline

Systemtic Name: 2-(4-methylphenyl)sulfanyl-N-[3-(4-methylpiperazin-1-yl)propyl]aniline Openeye Name: N-[3-(4-methylpiperazin-1-yl)propyl]-2-(p-tolylsulfanyl)aniline CAS Name: 2-[(4-methylphenyl)thio]-N-[3-(4-methyl-1-piperazinyl)propyl]aniline IUPAC Name: 2-(4-methylphenyl)sulfanyl-N-[3-(4-methylpiperazin-1-yl)propyl]aniline Traditional Name: 3-(4-methylpiperazino)propyl-[2-(p-tolylthio)phenyl]amine Formula: C21H29N3S MolecularWeight: 355.54006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC=CC=C2NCCCN3CCN(CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC=CC=C2NCCCN3CCN(CC3)C

InChI

InChI=1S/C21H29N3S/c1-18-8-10-19(11-9-18)25-21-7-4-3-6-20(21)22-12-5-13-24-16-14-23(2)15-17-24/h3-4,6-11,22H,5,12-17H2,1-2H3