N-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-2-(3-oxidanylidene-1,2-thiazol-2-yl)ethanamide

Systemtic Name: N-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-2-(3-oxidanylidene-1,2-thiazol-2-yl)ethanamide Openeye Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-2-(3-oxoisothiazol-2-yl)acetamide CAS Name: N-[4-(3-bromoanilino)-6-quinazolinyl]-2-(3-oxo-2-isothiazolyl)acetamide IUPAC Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-2-(3-oxo-1,2-thiazol-2-yl)acetamide Traditional Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-2-(3-keto-4-isothiazolin-2-yl)acetamide Formula: C19H14BrN5O2S MolecularWeight: 456.31576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC2=NC=NC3=C2C=C(C=C3)NC(=O)CN4C(=O)C=CS4

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC2=NC=NC3=C2C=C(C=C3)NC(=O)CN4C(=O)C=CS4

InChI

InChI=1S/C19H14BrN5O2S/c20-12-2-1-3-13(8-12)24-19-15-9-14(4-5-16(15)21-11-22-19)23-17(26)10-25-18(27)6-7-28-25/h1-9,11H,10H2,(H,23,26)(H,21,22,24)