N-[1-(3-bromanyl-4-methoxy-phenyl)ethyl]-3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[1-(3-bromanyl-4-methoxy-phenyl)ethyl]-3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[1-(3-bromo-4-methoxy-phenyl)ethyl]-3-ethyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[1-(3-bromo-4-methoxy-phenyl)ethyl]-3-ethyl-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H20BrN3O3S MolecularWeight: 462.3601

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC(C)C3=CC(=C(C=C3)OC)Br)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC(C)C3=CC(=C(C=C3)OC)Br)NC1=S

InChI

InChI=1S/C20H20BrN3O3S/c1-4-24-19(26)14-7-5-13(10-16(14)23-20(24)28)18(25)22-11(2)12-6-8-17(27-3)15(21)9-12/h5-11H,4H2,1-3H3,(H,22,25)(H,23,28)