3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-(3-phenylsulfanylpropyl)propanamide

Systemtic Name: 3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-(3-phenylsulfanylpropyl)propanamide Openeye Name: 3-(6-bromo-4-oxo-quinazolin-3-yl)-N-(3-phenylsulfanylpropyl)propanamide CAS Name: 3-(6-bromo-4-oxo-3-quinazolinyl)-N-[3-(phenylthio)propyl]propanamide IUPAC Name: 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-phenylsulfanylpropyl)propanamide Traditional Name: 3-(6-bromo-4-keto-quinazolin-3-yl)-N-[3-(phenylthio)propyl]propionamide Formula: C20H20BrN3O2S MolecularWeight: 446.3607

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C20H20BrN3O2S/c21-15-7-8-18-17(13-15)20(26)24(14-23-18)11-9-19(25)22-10-4-12-27-16-5-2-1-3-6-16/h1-3,5-8,13-14H,4,9-12H2,(H,22,25)