1-(4-methylpiperazin-1-yl)-5-phenylsulfanyl-4-(propan-2-ylamino)pentan-1-one

Systemtic Name: 1-(4-methylpiperazin-1-yl)-5-phenylsulfanyl-4-(propan-2-ylamino)pentan-1-one Openeye Name: 4-(isopropylamino)-1-(4-methylpiperazin-1-yl)-5-phenylsulfanyl-pentan-1-one CAS Name: 1-(4-methyl-1-piperazinyl)-5-(phenylthio)-4-(propan-2-ylamino)-1-pentanone IUPAC Name: 1-(4-methylpiperazin-1-yl)-5-phenylsulfanyl-4-(propan-2-ylamino)pentan-1-one Traditional Name: 4-(isopropylamino)-1-(4-methylpiperazino)-5-(phenylthio)pentan-1-one Formula: C19H31N3OS MolecularWeight: 349.53394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N3OS/c1-16(2)20-17(15-24-18-7-5-4-6-8-18)9-10-19(23)22-13-11-21(3)12-14-22/h4-8,16-17,20H,9-15H2,1-3H3