S-[[3-(2,2-dimethyloxan-4-yl)-4-oxidanylidene-quinazolin-2-yl]methyl] 4-bromanylbenzenecarbothioate

Systemtic Name: S-[[3-(2,2-dimethyloxan-4-yl)-4-oxidanylidene-quinazolin-2-yl]methyl] 4-bromanylbenzenecarbothioate Openeye Name: S-[[3-(2,2-dimethyltetrahydropyran-4-yl)-4-oxo-quinazolin-2-yl]methyl] 4-bromobenzenecarbothioate CAS Name: 4-bromobenzenecarbothioic acid S-[[3-(2,2-dimethyl-4-oxanyl)-4-oxo-2-quinazolinyl]methyl] ester IUPAC Name: S-[[3-(2,2-dimethyloxan-4-yl)-4-oxoquinazolin-2-yl]methyl] 4-bromobenzenecarbothioate Traditional Name: 4-bromothiobenzoic acid S-[[3-(2,2-dimethyltetrahydropyran-4-yl)-4-keto-quinazolin-2-yl]methyl] ester Formula: C23H23BrN2O3S MolecularWeight: 487.40932

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)N2C(=NC3=CC=CC=C3C2=O)CSC(=O)C4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1(CC(CCO1)N2C(=NC3=CC=CC=C3C2=O)CSC(=O)C4=CC=C(C=C4)Br)C

InChI

InChI=1S/C23H23BrN2O3S/c1-23(2)13-17(11-12-29-23)26-20(25-19-6-4-3-5-18(19)21(26)27)14-30-22(28)15-7-9-16(24)10-8-15/h3-10,17H,11-14H2,1-2H3