1-[3-(7-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[3-(7-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[3-(7-chloro-4-oxo-2-thioxo-1H-quinazolin-3-yl)benzoyl]piperidine-4-carboxamide CAS Name: 1-[[3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoyl]piperidine-4-carboxamide Traditional Name: 1-[3-(7-chloro-4-keto-2-thioxo-1H-quinazolin-3-yl)benzoyl]isonipecotamide Formula: C21H19ClN4O3S MolecularWeight: 442.91856

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C=C(C=C4)Cl)NC3=S

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C=C(C=C4)Cl)NC3=S

InChI

InChI=1S/C21H19ClN4O3S/c22-14-4-5-16-17(11-14)24-21(30)26(20(16)29)15-3-1-2-13(10-15)19(28)25-8-6-12(7-9-25)18(23)27/h1-5,10-12H,6-9H2,(H2,23,27)(H,24,30)