ethyl 1-[4-[(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[4-[(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-[(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]benzoyl]piperidine-3-carboxylate CAS Name: 1-[[4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzoyl]piperidine-3-carboxylate Traditional Name: 1-[4-[(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]benzoyl]nipecotic acid ethyl ester Formula: C24H24BrN3O4S MolecularWeight: 530.43406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=CC(=C4)Br)NC3=S

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=CC(=C4)Br)NC3=S

InChI

InChI=1S/C24H24BrN3O4S/c1-2-32-23(31)17-4-3-11-27(14-17)21(29)16-7-5-15(6-8-16)13-28-22(30)19-12-18(25)9-10-20(19)26-24(28)33/h5-10,12,17H,2-4,11,13-14H2,1H3,(H,26,33)