1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(4-ethylphenyl)thiourea

Systemtic Name: 1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(4-ethylphenyl)thiourea Openeye Name: 1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(4-ethylphenyl)thiourea CAS Name: 1-[4-[[4-(dimethylamino)-2-quinazolinyl]amino]cyclohexyl]-3-(4-ethylphenyl)thiourea IUPAC Name: 1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(4-ethylphenyl)thiourea Traditional Name: 1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(4-ethylphenyl)thiourea Formula: C25H32N6S MolecularWeight: 448.62678

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NC2CCC(CC2)NC3=NC4=CC=CC=C4C(=N3)N(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NC2CCC(CC2)NC3=NC4=CC=CC=C4C(=N3)N(C)C

InChI

InChI=1S/C25H32N6S/c1-4-17-9-11-19(12-10-17)27-25(32)28-20-15-13-18(14-16-20)26-24-29-22-8-6-5-7-21(22)23(30-24)31(2)3/h5-12,18,20H,4,13-16H2,1-3H3,(H,26,29,30)(H2,27,28,32)