1-(4-bromanyl-2-methyl-phenyl)-3-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]thiourea

Systemtic Name: 1-(4-bromanyl-2-methyl-phenyl)-3-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]thiourea Openeye Name: 1-(4-bromo-2-methyl-phenyl)-3-[4-[[4-(dimethylamino)-2-quinolyl]amino]cyclohexyl]thiourea CAS Name: 1-(4-bromo-2-methylphenyl)-3-[4-[[4-(dimethylamino)-2-quinolinyl]amino]cyclohexyl]thiourea IUPAC Name: 1-(4-bromo-2-methylphenyl)-3-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]thiourea Traditional Name: 1-(4-bromo-2-methyl-phenyl)-3-[4-[[4-(dimethylamino)-2-quinolyl]amino]cyclohexyl]thiourea Formula: C25H30BrN5S MolecularWeight: 512.5082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=S)NC2CCC(CC2)NC3=NC4=CC=CC=C4C(=C3)N(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=S)NC2CCC(CC2)NC3=NC4=CC=CC=C4C(=C3)N(C)C

InChI

InChI=1S/C25H30BrN5S/c1-16-14-17(26)8-13-21(16)30-25(32)28-19-11-9-18(10-12-19)27-24-15-23(31(2)3)20-6-4-5-7-22(20)29-24/h4-8,13-15,18-19H,9-12H2,1-3H3,(H,27,29)(H2,28,30,32)