1-(6-bromanyl-2-methoxy-quinolin-3-yl)-3-[3-(4-methylpiperazin-1-yl)propylsulfanyl]-1,2-diphenyl-propan-2-ol

Systemtic Name: 1-(6-bromanyl-2-methoxy-quinolin-3-yl)-3-[3-(4-methylpiperazin-1-yl)propylsulfanyl]-1,2-diphenyl-propan-2-ol Openeye Name: 1-(6-bromo-2-methoxy-3-quinolyl)-3-[3-(4-methylpiperazin-1-yl)propylsulfanyl]-1,2-diphenyl-propan-2-ol CAS Name: 1-(6-bromo-2-methoxy-3-quinolinyl)-3-[3-(4-methyl-1-piperazinyl)propylthio]-1,2-diphenyl-2-propanol IUPAC Name: 1-(6-bromo-2-methoxyquinolin-3-yl)-3-[3-(4-methylpiperazin-1-yl)propylsulfanyl]-1,2-diphenylpropan-2-ol Traditional Name: 1-(6-bromo-2-methoxy-3-quinolyl)-3-[3-(4-methylpiperazino)propylthio]-1,2-diphenyl-propan-2-ol Formula: C33H38BrN3O2S MolecularWeight: 620.64272

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCSCC(C2=CC=CC=C2)(C(C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)OC)O

Isomeric SMILES

CN1CCN(CC1)CCCSCC(C2=CC=CC=C2)(C(C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)OC)O

InChI

InChI=1S/C33H38BrN3O2S/c1-36-17-19-37(20-18-36)16-9-21-40-24-33(38,27-12-7-4-8-13-27)31(25-10-5-3-6-11-25)29-23-26-22-28(34)14-15-30(26)35-32(29)39-2/h3-8,10-15,22-23,31,38H,9,16-21,24H2,1-2H3