1-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]-3-heptan-2-yl-thiourea

Systemtic Name: 1-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]-3-heptan-2-yl-thiourea Openeye Name: 1-[4-[[4-(dimethylamino)-2-quinolyl]amino]cyclohexyl]-3-(1-methylhexyl)thiourea CAS Name: 1-[4-[[4-(dimethylamino)-2-quinolinyl]amino]cyclohexyl]-3-heptan-2-ylthiourea IUPAC Name: 1-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]-3-heptan-2-ylthiourea Traditional Name: 1-[4-[[4-(dimethylamino)-2-quinolyl]amino]cyclohexyl]-3-(1-methylhexyl)thiourea Formula: C25H39N5S MolecularWeight: 441.67566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=S)NC1CCC(CC1)NC2=NC3=CC=CC=C3C(=C2)N(C)C

Isomeric SMILES

CCCCCC(C)NC(=S)NC1CCC(CC1)NC2=NC3=CC=CC=C3C(=C2)N(C)C

InChI

InChI=1S/C25H39N5S/c1-5-6-7-10-18(2)26-25(31)28-20-15-13-19(14-16-20)27-24-17-23(30(3)4)21-11-8-9-12-22(21)29-24/h8-9,11-12,17-20H,5-7,10,13-16H2,1-4H3,(H,27,29)(H2,26,28,31)