2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-1-phenyl-ethanone

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-1-phenyl-ethanone Openeye Name: 2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-1-phenyl-ethanone CAS Name: 2-[[4-(1,3-benzodioxol-5-ylamino)-2-quinazolinyl]thio]-1-phenylethanone IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-1-phenylethanone Traditional Name: 2-[[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]thio]-1-phenyl-ethanone Formula: C23H17N3O3S MolecularWeight: 415.46438

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=NC(=NC4=CC=CC=C43)SCC(=O)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=NC(=NC4=CC=CC=C43)SCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C23H17N3O3S/c27-19(15-6-2-1-3-7-15)13-30-23-25-18-9-5-4-8-17(18)22(26-23)24-16-10-11-20-21(12-16)29-14-28-20/h1-12H,13-14H2,(H,24,25,26)