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

Systemtic Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]thiourea Openeye Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-[4-methyl-2-(4-methylpiperazin-1-yl)-6-quinolyl]thiourea CAS Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-[4-methyl-2-(4-methyl-1-piperazinyl)-6-quinolinyl]thiourea IUPAC Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]thiourea Traditional Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-[4-methyl-2-(4-methylpiperazino)-6-quinolyl]thiourea Formula: C27H34N6S MolecularWeight: 474.66406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)NC(=S)NCCN3CCC4=CC=CC=C4C3)N5CCN(CC5)C

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)NC(=S)NCCN3CCC4=CC=CC=C4C3)N5CCN(CC5)C

InChI

InChI=1S/C27H34N6S/c1-20-17-26(33-15-13-31(2)14-16-33)30-25-8-7-23(18-24(20)25)29-27(34)28-10-12-32-11-9-21-5-3-4-6-22(21)19-32/h3-8,17-18H,9-16,19H2,1-2H3,(H2,28,29,34)