2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2,5-dimethoxyphenyl)ethanamide

Systemtic Name: 2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2,5-dimethoxyphenyl)ethanamide Openeye Name: 2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide CAS Name: 2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-N-(2,5-dimethoxyphenyl)acetamide IUPAC Name: 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide Traditional Name: 2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]-N-(2,5-dimethoxyphenyl)acetamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CC4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

InChI=1S/C21H21N3O4S/c1-27-14-9-10-18(28-2)17(11-14)22-19(25)12-29-21-23-16-6-4-3-5-15(16)20(26)24(21)13-7-8-13/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,22,25)