N-(1,3-benzodioxol-5-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[2-(2-thienyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(2-thiophen-2-yl-4-quinazolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(2-thienyl)quinazolin-4-yl]thio]acetamide Formula: C21H15N3O3S2 MolecularWeight: 421.4921

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C21H15N3O3S2/c25-19(22-13-7-8-16-17(10-13)27-12-26-16)11-29-21-14-4-1-2-5-15(14)23-20(24-21)18-6-3-9-28-18/h1-10H,11-12H2,(H,22,25)