1-[2-[(4-chlorophenyl)methylsulfanyl]-4-oxidanylidene-3-phenyl-quinazolin-7-yl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[2-[(4-chlorophenyl)methylsulfanyl]-4-oxidanylidene-3-phenyl-quinazolin-7-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[2-[(4-chlorophenyl)methylsulfanyl]-4-oxo-3-phenyl-quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[2-[(4-chlorophenyl)methylthio]-4-oxo-3-phenyl-7-quinazolinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[(4-chlorophenyl)methylsulfanyl]-4-oxo-3-phenylquinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[2-[(4-chlorobenzyl)thio]-4-keto-3-phenyl-quinazoline-7-carbonyl]isonipecotamide Formula: C28H25ClN4O3S MolecularWeight: 533.0411

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C28H25ClN4O3S/c29-21-9-6-18(7-10-21)17-37-28-31-24-16-20(26(35)32-14-12-19(13-15-32)25(30)34)8-11-23(24)27(36)33(28)22-4-2-1-3-5-22/h1-11,16,19H,12-15,17H2,(H2,30,34)