2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-N-cyclohexyl-ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-N-cyclohexyl-ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-N-cyclohexyl-acetamide CAS Name: 2-[[4-(1,3-benzodioxol-5-ylamino)-2-quinazolinyl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-N-cyclohexylacetamide Traditional Name: 2-[[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]thio]-N-cyclohexyl-acetamide Formula: C23H24N4O3S MolecularWeight: 436.52666

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H24N4O3S/c28-21(24-15-6-2-1-3-7-15)13-31-23-26-18-9-5-4-8-17(18)22(27-23)25-16-10-11-19-20(12-16)30-14-29-19/h4-5,8-12,15H,1-3,6-7,13-14H2,(H,24,28)(H,25,26,27)