1-(4-methylpiperazin-1-yl)-4-phenylsulfanyl-3-(propan-2-ylamino)butan-1-one

Systemtic Name: 1-(4-methylpiperazin-1-yl)-4-phenylsulfanyl-3-(propan-2-ylamino)butan-1-one Openeye Name: 3-(isopropylamino)-1-(4-methylpiperazin-1-yl)-4-phenylsulfanyl-butan-1-one CAS Name: 1-(4-methyl-1-piperazinyl)-4-(phenylthio)-3-(propan-2-ylamino)-1-butanone IUPAC Name: 1-(4-methylpiperazin-1-yl)-4-phenylsulfanyl-3-(propan-2-ylamino)butan-1-one Traditional Name: 3-(isopropylamino)-1-(4-methylpiperazino)-4-(phenylthio)butan-1-one Formula: C18H29N3OS MolecularWeight: 335.50736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(CC(=O)N1CCN(CC1)C)CSC2=CC=CC=C2

Isomeric SMILES

CC(C)NC(CC(=O)N1CCN(CC1)C)CSC2=CC=CC=C2

InChI

InChI=1S/C18H29N3OS/c1-15(2)19-16(14-23-17-7-5-4-6-8-17)13-18(22)21-11-9-20(3)10-12-21/h4-8,15-16,19H,9-14H2,1-3H3