3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-(2-cyclopentylsulfanylphenyl)propanamide

Systemtic Name: 3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-(2-cyclopentylsulfanylphenyl)propanamide Openeye Name: 3-(6-bromo-4-oxo-quinazolin-3-yl)-N-(2-cyclopentylsulfanylphenyl)propanamide CAS Name: 3-(6-bromo-4-oxo-3-quinazolinyl)-N-[2-(cyclopentylthio)phenyl]propanamide IUPAC Name: 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-cyclopentylsulfanylphenyl)propanamide Traditional Name: 3-(6-bromo-4-keto-quinazolin-3-yl)-N-[2-(cyclopentylthio)phenyl]propionamide Formula: C22H22BrN3O2S MolecularWeight: 472.39798

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)SC2=CC=CC=C2NC(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1CCC(C1)SC2=CC=CC=C2NC(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C22H22BrN3O2S/c23-15-9-10-18-17(13-15)22(28)26(14-24-18)12-11-21(27)25-19-7-3-4-8-20(19)29-16-5-1-2-6-16/h3-4,7-10,13-14,16H,1-2,5-6,11-12H2,(H,25,27)