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

Systemtic Name: N-(4-tert-butylphenyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(4-tert-butylphenyl)propanamide CAS Name: N-(4-tert-butylphenyl)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]propanamide IUPAC Name: N-(4-tert-butylphenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(4-tert-butylphenyl)propionamide Formula: C24H27N3O2S MolecularWeight: 421.55508

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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)N2CC=C

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)SC2=NC3=CC=CC=C3C(=O)N2CC=C

InChI

InChI=1S/C24H27N3O2S/c1-6-15-27-22(29)19-9-7-8-10-20(19)26-23(27)30-16(2)21(28)25-18-13-11-17(12-14-18)24(3,4)5/h6-14,16H,1,15H2,2-5H3,(H,25,28)