N-(4-tert-butylphenyl)-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(4-tert-butylphenyl)-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(4-tert-butylphenyl)-2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(4-tert-butylphenyl)-2-[(3-methyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: N-(4-tert-butylphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: N-(4-tert-butylphenyl)-2-[(4-keto-3-methyl-quinazolin-2-yl)thio]propionamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)SC2=NC3=CC=CC=C3C(=O)N2C

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)SC2=NC3=CC=CC=C3C(=O)N2C

InChI

InChI=1S/C22H25N3O2S/c1-14(19(26)23-16-12-10-15(11-13-16)22(2,3)4)28-21-24-18-9-7-6-8-17(18)20(27)25(21)5/h6-14H,1-5H3,(H,23,26)