3-cyclohexyl-N-[(4-fluorophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=C(C=C4)F)NC2=S

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=C(C=C4)F)NC2=S

InChI

InChI=1S/C22H22FN3O2S/c23-16-9-6-14(7-10-16)13-24-20(27)15-8-11-18-19(12-15)25-22(29)26(21(18)28)17-4-2-1-3-5-17/h6-12,17H,1-5,13H2,(H,24,27)(H,25,29)