methyl 1-[2-(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(6-bromo-4-oxo-3-propyl-quinazolin-2-yl)sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(6-bromo-4-oxo-3-propyl-2-quinazolinyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(6-bromo-4-keto-3-propyl-quinazolin-2-yl)thio]acetyl]isonipecotic acid methyl ester Formula: C20H24BrN3O4S MolecularWeight: 482.39126

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)N3CCC(CC3)C(=O)OC

Isomeric SMILES

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)N3CCC(CC3)C(=O)OC

InChI

InChI=1S/C20H24BrN3O4S/c1-3-8-24-18(26)15-11-14(21)4-5-16(15)22-20(24)29-12-17(25)23-9-6-13(7-10-23)19(27)28-2/h4-5,11,13H,3,6-10,12H2,1-2H3