N-(5-bromanyl-1,3-thiazol-2-yl)-2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(5-bromanyl-1,3-thiazol-2-yl)-2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(5-bromothiazol-2-yl)-2-[3-(3,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(5-bromo-2-thiazolyl)-2-[[3-(3,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(5-bromo-1,3-thiazol-2-yl)-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(5-bromothiazol-2-yl)-2-[[3-(3,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C21H17BrN4O2S2 MolecularWeight: 501.41928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=NC=C(S4)Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=NC=C(S4)Br)C

InChI

InChI=1S/C21H17BrN4O2S2/c1-12-7-13(2)9-14(8-12)26-19(28)15-5-3-4-6-16(15)24-21(26)29-11-18(27)25-20-23-10-17(22)30-20/h3-10H,11H2,1-2H3,(H,23,25,27)