1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]thiourea

Systemtic Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]thiourea Openeye Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-[4-methyl-2-(4-methylpiperazin-1-yl)-6-quinolyl]thiourea CAS Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-[4-methyl-2-(4-methyl-1-piperazinyl)-6-quinolinyl]thiourea IUPAC Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]thiourea Traditional Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-[4-methyl-2-(4-methylpiperazino)-6-quinolyl]thiourea Formula: C28H36N6S MolecularWeight: 488.69064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)NC(=S)NCCCN3CCC4=CC=CC=C4C3)N5CCN(CC5)C

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)NC(=S)NCCCN3CCC4=CC=CC=C4C3)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)29-11-5-12-33-13-10-22-6-3-4-7-23(22)20-33/h3-4,6-9,18-19H,5,10-17,20H2,1-2H3,(H2,29,30,35)