2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopentyl-3-(3-fluorophenyl)-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopentyl-3-(3-fluorophenyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopentyl-3-(3-fluorophenyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(2-chlorophenyl)methylthio]-N-cyclopentyl-3-(3-fluorophenyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopentyl-3-(3-fluorophenyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-[(2-chlorobenzyl)thio]-N-cyclopentyl-3-(3-fluorophenyl)-4-keto-quinazoline-7-carboxamide Formula: C27H23ClFN3O2S MolecularWeight: 508.006823

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=CC=C4Cl)C5=CC(=CC=C5)F

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=CC=C4Cl)C5=CC(=CC=C5)F

InChI

InChI=1S/C27H23ClFN3O2S/c28-23-11-4-1-6-18(23)16-35-27-31-24-14-17(25(33)30-20-8-2-3-9-20)12-13-22(24)26(34)32(27)21-10-5-7-19(29)15-21/h1,4-7,10-15,20H,2-3,8-9,16H2,(H,30,33)