1-[4-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)butanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[4-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)butanoyl]piperidine-4-carboxamide Openeye Name: 1-[4-(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)butanoyl]piperidine-4-carboxamide CAS Name: 1-[4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-1-oxobutyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanoyl]piperidine-4-carboxamide Traditional Name: 1-[4-(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)butanoyl]isonipecotamide Formula: C18H21BrN4O3S MolecularWeight: 453.35334

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=O)CCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)CCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S

InChI

InChI=1S/C18H21BrN4O3S/c19-12-3-4-14-13(10-12)17(26)23(18(27)21-14)7-1-2-15(24)22-8-5-11(6-9-22)16(20)25/h3-4,10-11H,1-2,5-9H2,(H2,20,25)(H,21,27)