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

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-N,N-diethyl-3-(4-fluorophenyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-N,N-diethyl-3-(4-fluorophenyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(3-chlorophenyl)methylthio]-N,N-diethyl-3-(4-fluorophenyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-N,N-diethyl-3-(4-fluorophenyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-[(3-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=C3)Cl)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=C3)Cl)C4=CC=C(C=C4)F

InChI

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