N-(2,6-dimethylphenyl)-4-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-butanamide

Systemtic Name: N-(2,6-dimethylphenyl)-4-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-butanamide Openeye Name: 4-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2,6-dimethylphenyl)butanamide CAS Name: N-(2,6-dimethylphenyl)-4-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]butanamide IUPAC Name: N-(2,6-dimethylphenyl)-4-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylbutanamide Traditional Name: 4-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(2,6-dimethylphenyl)butyramide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CCCSC2=NC3=CC=CC=C3C(=O)N2CC=C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CCCSC2=NC3=CC=CC=C3C(=O)N2CC=C

InChI

InChI=1S/C23H25N3O2S/c1-4-14-26-22(28)18-11-5-6-12-19(18)24-23(26)29-15-8-13-20(27)25-21-16(2)9-7-10-17(21)3/h4-7,9-12H,1,8,13-15H2,2-3H3,(H,25,27)