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

Systemtic Name: 1-[2-[(4-chlorophenyl)methylsulfanyl]-3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-7-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[2-[(4-chlorophenyl)methylsulfanyl]-3-(4-fluorophenyl)-4-oxo-quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[2-[(4-chlorophenyl)methylthio]-3-(4-fluorophenyl)-4-oxo-7-quinazolinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[(4-chlorophenyl)methylsulfanyl]-3-(4-fluorophenyl)-4-oxoquinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[2-[(4-chlorobenzyl)thio]-3-(4-fluorophenyl)-4-keto-quinazoline-7-carbonyl]isonipecotamide Formula: C28H24ClFN4O3S MolecularWeight: 551.031563

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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=C(C=C5)F

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=C(C=C5)F

InChI

InChI=1S/C28H24ClFN4O3S/c29-20-4-1-17(2-5-20)16-38-28-32-24-15-19(26(36)33-13-11-18(12-14-33)25(31)35)3-10-23(24)27(37)34(28)22-8-6-21(30)7-9-22/h1-10,15,18H,11-14,16H2,(H2,31,35)