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

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-N,N-diethyl-3-(4-fluorophenyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-N,N-diethyl-3-(4-fluorophenyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(2-chlorophenyl)methylthio]-N,N-diethyl-3-(4-fluorophenyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-N,N-diethyl-3-(4-fluorophenyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-[(2-chlorobenzyl)thio]-N,N-diethyl-3-(4-fluorophenyl)-4-keto-quinazoline-7-carboxamide Formula: C26H23ClFN3O2S MolecularWeight: 495.996123

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3Cl)C4=CC=C(C=C4)F

Isomeric SMILES

CCN(CC)C(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3Cl)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H23ClFN3O2S/c1-3-30(4-2)24(32)17-9-14-21-23(15-17)29-26(34-16-18-7-5-6-8-22(18)27)31(25(21)33)20-12-10-19(28)11-13-20/h5-15H,3-4,16H2,1-2H3