N-(3,4-dimethoxyphenyl)-2-[2-(phenylmethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-[2-(phenylmethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: 2-(2-benzylquinazolin-4-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[[2-(phenylmethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: 2-(2-benzylquinazolin-4-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide Traditional Name: 2-[(2-benzylquinazolin-4-yl)thio]-N-(3,4-dimethoxyphenyl)acetamide Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)CC4=CC=CC=C4)OC

InChI

InChI=1S/C25H23N3O3S/c1-30-21-13-12-18(15-22(21)31-2)26-24(29)16-32-25-19-10-6-7-11-20(19)27-23(28-25)14-17-8-4-3-5-9-17/h3-13,15H,14,16H2,1-2H3,(H,26,29)