1-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-[1-(phenylmethyl)piperidin-4-yl]thiourea

Systemtic Name: 1-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-[1-(phenylmethyl)piperidin-4-yl]thiourea Openeye Name: 1-(1-benzyl-4-piperidyl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)-6-quinolyl]thiourea CAS Name: 1-[4-methyl-2-(4-methyl-1-piperazinyl)-6-quinolinyl]-3-[1-(phenylmethyl)-4-piperidinyl]thiourea IUPAC Name: 1-(1-benzylpiperidin-4-yl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]thiourea Traditional Name: 1-(1-benzyl-4-piperidyl)-3-[4-methyl-2-(4-methylpiperazino)-6-quinolyl]thiourea Formula: C28H36N6S MolecularWeight: 488.69064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)NC(=S)NC3CCN(CC3)CC4=CC=CC=C4)N5CCN(CC5)C

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)NC(=S)NC3CCN(CC3)CC4=CC=CC=C4)N5CCN(CC5)C

InChI

InChI=1S/C28H36N6S/c1-21-18-27(34-16-14-32(2)15-17-34)31-26-9-8-24(19-25(21)26)30-28(35)29-23-10-12-33(13-11-23)20-22-6-4-3-5-7-22/h3-9,18-19,23H,10-17,20H2,1-2H3,(H2,29,30,35)