3-[4-(diphenylmethyl)piperazin-1-yl]-4-propylsulfanyl-1H-quinolin-2-one

Systemtic Name: 3-[4-(diphenylmethyl)piperazin-1-yl]-4-propylsulfanyl-1H-quinolin-2-one Openeye Name: 3-(4-benzhydrylpiperazin-1-yl)-4-propylsulfanyl-1H-quinolin-2-one CAS Name: 3-[4-(diphenylmethyl)-1-piperazinyl]-4-(propylthio)-1H-quinolin-2-one IUPAC Name: 3-(4-benzhydrylpiperazin-1-yl)-4-propylsulfanyl-1H-quinolin-2-one Traditional Name: 3-(4-benzhydrylpiperazino)-4-(propylthio)carbostyril Formula: C29H31N3OS MolecularWeight: 469.64094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C(=O)NC2=CC=CC=C21)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCSC1=C(C(=O)NC2=CC=CC=C21)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H31N3OS/c1-2-21-34-28-24-15-9-10-16-25(24)30-29(33)27(28)32-19-17-31(18-20-32)26(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-16,26H,2,17-21H2,1H3,(H,30,33)