N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(6-bromo-4-oxo-quinazolin-3-yl)propanamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(6-bromo-4-oxo-3-quinazolinyl)propanamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(6-bromo-4-keto-quinazolin-3-yl)propionamide Formula: C20H17BrN4O2S MolecularWeight: 457.34358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCNC(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCNC(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C20H17BrN4O2S/c21-13-5-6-15-14(11-13)20(27)25(12-23-15)10-8-18(26)22-9-7-19-24-16-3-1-2-4-17(16)28-19/h1-6,11-12H,7-10H2,(H,22,26)