N-(5-tert-butyl-2-oxidanyl-phenyl)-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide

Systemtic Name: N-(5-tert-butyl-2-oxidanyl-phenyl)-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Openeye Name: N-(5-tert-butyl-2-hydroxy-phenyl)-3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide CAS Name: N-(5-tert-butyl-2-hydroxyphenyl)-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide IUPAC Name: N-(5-tert-butyl-2-hydroxyphenyl)-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Traditional Name: N-(5-tert-butyl-2-hydroxy-phenyl)-3-(4-keto-2-thioxo-1H-quinazolin-3-yl)propionamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)O)NC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)O)NC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C21H23N3O3S/c1-21(2,3)13-8-9-17(25)16(12-13)22-18(26)10-11-24-19(27)14-6-4-5-7-15(14)23-20(24)28/h4-9,12,25H,10-11H2,1-3H3,(H,22,26)(H,23,28)