4-(4-methylpiperazin-1-yl)-1-phenylsulfanyl-N-propan-2-yl-butan-2-amine

Systemtic Name: 4-(4-methylpiperazin-1-yl)-1-phenylsulfanyl-N-propan-2-yl-butan-2-amine Openeye Name: N-isopropyl-4-(4-methylpiperazin-1-yl)-1-phenylsulfanyl-butan-2-amine CAS Name: 4-(4-methyl-1-piperazinyl)-1-(phenylthio)-N-propan-2-yl-2-butanamine IUPAC Name: 4-(4-methylpiperazin-1-yl)-1-phenylsulfanyl-N-propan-2-ylbutan-2-amine Traditional Name: isopropyl-[3-(4-methylpiperazino)-1-[(phenylthio)methyl]propyl]amine Formula: C18H31N3S MolecularWeight: 321.52384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(CCN1CCN(CC1)C)CSC2=CC=CC=C2

Isomeric SMILES

CC(C)NC(CCN1CCN(CC1)C)CSC2=CC=CC=C2

InChI

InChI=1S/C18H31N3S/c1-16(2)19-17(15-22-18-7-5-4-6-8-18)9-10-21-13-11-20(3)12-14-21/h4-8,16-17,19H,9-15H2,1-3H3