3-(3-chloranyl-4-fluoranyl-phenyl)-N-cyclohexyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-N-cyclohexyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-N-cyclohexyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(3-chloro-4-fluorophenyl)-N-cyclohexyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(3-chloro-4-fluorophenyl)-N-cyclohexyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-N-cyclohexyl-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H19ClFN3O2S MolecularWeight: 431.910863

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C21H19ClFN3O2S/c22-16-11-14(7-9-17(16)23)26-20(28)15-8-6-12(10-18(15)25-21(26)29)19(27)24-13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H,24,27)(H,25,29)