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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(2-thienyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(2-thiophen-2-yl-4-quinazolinyl)thio]acetamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide Traditional Name: 2-[[2-(2-thienyl)quinazolin-4-yl]thio]-N-veratryl-acetamide Formula: C23H21N3O3S2 MolecularWeight: 451.56114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O3S2/c1-28-18-10-9-15(12-19(18)29-2)13-24-21(27)14-31-23-16-6-3-4-7-17(16)25-22(26-23)20-8-5-11-30-20/h3-12H,13-14H2,1-2H3,(H,24,27)