1-(1,3-benzodioxol-5-ylmethyl)-3-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-[[4-(dimethylamino)-2-quinazolinyl]amino]cyclohexyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]thiourea Traditional Name: 1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-piperonyl-thiourea Formula: C25H30N6O2S MolecularWeight: 478.6097

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC2=CC=CC=C21)NC3CCC(CC3)NC(=S)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN(C)C1=NC(=NC2=CC=CC=C21)NC3CCC(CC3)NC(=S)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H30N6O2S/c1-31(2)23-19-5-3-4-6-20(19)29-24(30-23)27-17-8-10-18(11-9-17)28-25(34)26-14-16-7-12-21-22(13-16)33-15-32-21/h3-7,12-13,17-18H,8-11,14-15H2,1-2H3,(H2,26,28,34)(H,27,29,30)