2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(3,5-dimethoxyphenyl)ethanamide

Systemtic Name: 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(3,5-dimethoxyphenyl)ethanamide Openeye Name: 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(3,5-dimethoxyphenyl)acetamide CAS Name: 2-[(2-cyclopropyl-4-quinazolinyl)thio]-N-(3,5-dimethoxyphenyl)acetamide IUPAC Name: 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(3,5-dimethoxyphenyl)acetamide Traditional Name: 2-[(2-cyclopropylquinazolin-4-yl)thio]-N-(3,5-dimethoxyphenyl)acetamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C4CC4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C4CC4)OC

InChI

InChI=1S/C21H21N3O3S/c1-26-15-9-14(10-16(11-15)27-2)22-19(25)12-28-21-17-5-3-4-6-18(17)23-20(24-21)13-7-8-13/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,22,25)