3-(2-fluorophenyl)-N-(4-methylcyclohexyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(2-fluorophenyl)-N-(4-methylcyclohexyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(2-fluorophenyl)-N-(4-methylcyclohexyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(2-fluorophenyl)-N-(4-methylcyclohexyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(2-fluorophenyl)-N-(4-methylcyclohexyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(2-fluorophenyl)-4-keto-N-(4-methylcyclohexyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H22FN3O2S MolecularWeight: 411.492383

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=CC=C4F

Isomeric SMILES

CC1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=CC=C4F

InChI

InChI=1S/C22H22FN3O2S/c1-13-6-9-15(10-7-13)24-20(27)14-8-11-16-18(12-14)25-22(29)26(21(16)28)19-5-3-2-4-17(19)23/h2-5,8,11-13,15H,6-7,9-10H2,1H3,(H,24,27)(H,25,29)