2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-methyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]ethanamide

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-methyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]ethanamide Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]acetamide CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]-N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]acetamide IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]acetamide Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]-N-[(4-keto-1H-quinazolin-2-yl)methyl]-N-methyl-acetamide Formula: C20H20BrN3O2S MolecularWeight: 446.3607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)N(C)CC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)N(C)CC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C20H20BrN3O2S/c1-12-9-17(13(2)8-15(12)21)27-11-19(25)24(3)10-18-22-16-7-5-4-6-14(16)20(26)23-18/h4-9H,10-11H2,1-3H3,(H,22,23,26)