N-(6-chloranyl-1,3-benzodioxol-5-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(6-chloranyl-1,3-benzodioxol-5-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(6-chloro-1,3-benzodioxol-5-yl)-2-[2-(2-thienyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(6-chloro-1,3-benzodioxol-5-yl)-2-[(2-thiophen-2-yl-4-quinazolinyl)thio]acetamide IUPAC Name: N-(6-chloro-1,3-benzodioxol-5-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-(6-chloro-1,3-benzodioxol-5-yl)-2-[[2-(2-thienyl)quinazolin-4-yl]thio]acetamide Formula: C21H14ClN3O3S2 MolecularWeight: 455.93716

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H14ClN3O3S2/c22-13-8-16-17(28-11-27-16)9-15(13)23-19(26)10-30-21-12-4-1-2-5-14(12)24-20(25-21)18-6-3-7-29-18/h1-9H,10-11H2,(H,23,26)