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

Systemtic Name: 1-[4-[(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]phenyl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[4-[(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]benzoyl]piperidine-4-carboxamide CAS Name: 1-[[4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]phenyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzoyl]piperidine-4-carboxamide Traditional Name: 1-[4-[(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]benzoyl]isonipecotamide Formula: C22H21BrN4O3S MolecularWeight: 501.39614

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=CC(=C4)Br)NC3=S

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=CC(=C4)Br)NC3=S

InChI

InChI=1S/C22H21BrN4O3S/c23-16-5-6-18-17(11-16)21(30)27(22(31)25-18)12-13-1-3-15(4-2-13)20(29)26-9-7-14(8-10-26)19(24)28/h1-6,11,14H,7-10,12H2,(H2,24,28)(H,25,31)