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

Systemtic Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-methyl-propanamide Openeye Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-3-(6-bromo-4-oxo-quinazolin-3-yl)-N-methyl-propanamide CAS Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-3-(6-bromo-4-oxo-3-quinazolinyl)-N-methylpropanamide IUPAC Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-3-(6-bromo-4-oxoquinazolin-3-yl)-N-methylpropanamide Traditional Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-3-(6-bromo-4-keto-quinazolin-3-yl)-N-methyl-propionamide Formula: C21H19BrN4O2S MolecularWeight: 471.37016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C21H19BrN4O2S/c1-13(20-24-17-5-3-4-6-18(17)29-20)25(2)19(27)9-10-26-12-23-16-8-7-14(22)11-15(16)21(26)28/h3-8,11-13H,9-10H2,1-2H3