N-(3,4-dimethoxyphenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-[2-(2-thienyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[(2-thiophen-2-yl-4-quinazolinyl)thio]acetamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-[[2-(2-thienyl)quinazolin-4-yl]thio]acetamide Formula: C22H19N3O3S2 MolecularWeight: 437.53456

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CS4)OC

InChI

InChI=1S/C22H19N3O3S2/c1-27-17-10-9-14(12-18(17)28-2)23-20(26)13-30-22-15-6-3-4-7-16(15)24-21(25-22)19-8-5-11-29-19/h3-12H,13H2,1-2H3,(H,23,26)