N-(5-tert-butyl-2-methoxy-phenyl)-3-(7-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide

Systemtic Name: N-(5-tert-butyl-2-methoxy-phenyl)-3-(7-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Openeye Name: N-(5-tert-butyl-2-methoxy-phenyl)-3-(7-chloro-4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide CAS Name: N-(5-tert-butyl-2-methoxyphenyl)-3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide IUPAC Name: N-(5-tert-butyl-2-methoxyphenyl)-3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Traditional Name: N-(5-tert-butyl-2-methoxy-phenyl)-3-(7-chloro-4-keto-2-thioxo-1H-quinazolin-3-yl)propionamide Formula: C22H24ClN3O3S MolecularWeight: 445.96226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)CCN2C(=O)C3=C(C=C(C=C3)Cl)NC2=S

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)CCN2C(=O)C3=C(C=C(C=C3)Cl)NC2=S

InChI

InChI=1S/C22H24ClN3O3S/c1-22(2,3)13-5-8-18(29-4)17(11-13)24-19(27)9-10-26-20(28)15-7-6-14(23)12-16(15)25-21(26)30/h5-8,11-12H,9-10H2,1-4H3,(H,24,27)(H,25,30)