N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-3-(4-keto-2-thioxo-1H-quinazolin-3-yl)propionamide Formula: C21H22BrN3O4S MolecularWeight: 492.38608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S)Br)OC

InChI

InChI=1S/C21H22BrN3O4S/c1-28-17-11-13(15(22)12-18(17)29-2)7-9-23-19(26)8-10-25-20(27)14-5-3-4-6-16(14)24-21(25)30/h3-6,11-12H,7-10H2,1-2H3,(H,23,26)(H,24,30)