N-(2-bromanyl-4-methyl-phenyl)-2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-(3,6-dimethyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[(3,6-dimethyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[(4-keto-3,6-dimethyl-quinazolin-2-yl)thio]propionamide Formula: C20H20BrN3O2S MolecularWeight: 446.3607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SC(C)C(=O)NC3=C(C=C(C=C3)C)Br

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SC(C)C(=O)NC3=C(C=C(C=C3)C)Br

InChI

InChI=1S/C20H20BrN3O2S/c1-11-5-7-16-14(9-11)19(26)24(4)20(23-16)27-13(3)18(25)22-17-8-6-12(2)10-15(17)21/h5-10,13H,1-4H3,(H,22,25)