N-(5-tert-butyl-2-methoxy-phenyl)-3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(5-tert-butyl-2-methoxy-phenyl)-3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(5-tert-butyl-2-methoxy-phenyl)-3-ethyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(5-tert-butyl-2-methoxyphenyl)-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(5-tert-butyl-2-methoxyphenyl)-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(5-tert-butyl-2-methoxy-phenyl)-3-ethyl-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(C)(C)C)OC)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(C)(C)C)OC)NC1=S

InChI

InChI=1S/C22H25N3O3S/c1-6-25-20(27)15-9-7-13(11-16(15)24-21(25)29)19(26)23-17-12-14(22(2,3)4)8-10-18(17)28-5/h7-12H,6H2,1-5H3,(H,23,26)(H,24,29)