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

Systemtic Name: 1-(4-butyl-2-methyl-phenyl)-3-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]thiourea Openeye Name: 1-(4-butyl-2-methyl-phenyl)-3-[4-[[4-(dimethylamino)-2-quinolyl]amino]cyclohexyl]thiourea CAS Name: 1-(4-butyl-2-methylphenyl)-3-[4-[[4-(dimethylamino)-2-quinolinyl]amino]cyclohexyl]thiourea IUPAC Name: 1-(4-butyl-2-methylphenyl)-3-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]thiourea Traditional Name: 1-(4-butyl-2-methyl-phenyl)-3-[4-[[4-(dimethylamino)-2-quinolyl]amino]cyclohexyl]thiourea Formula: C29H39N5S MolecularWeight: 489.71846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=S)NC2CCC(CC2)NC3=NC4=CC=CC=C4C(=C3)N(C)C)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=S)NC2CCC(CC2)NC3=NC4=CC=CC=C4C(=C3)N(C)C)C

InChI

InChI=1S/C29H39N5S/c1-5-6-9-21-12-17-25(20(2)18-21)33-29(35)31-23-15-13-22(14-16-23)30-28-19-27(34(3)4)24-10-7-8-11-26(24)32-28/h7-8,10-12,17-19,22-23H,5-6,9,13-16H2,1-4H3,(H,30,32)(H2,31,33,35)