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

Systemtic Name: 3-cyclopentyl-N-[(4-fluorophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-cyclopentyl-N-[(4-fluorophenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-cyclopentyl-N-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-cyclopentyl-N-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-cyclopentyl-N-(4-fluorobenzyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H20FN3O2S MolecularWeight: 397.465803

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=C(C=C4)F)NC2=S

Isomeric SMILES

C1CCC(C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=C(C=C4)F)NC2=S

InChI

InChI=1S/C21H20FN3O2S/c22-15-8-5-13(6-9-15)12-23-19(26)14-7-10-17-18(11-14)24-21(28)25(20(17)27)16-3-1-2-4-16/h5-11,16H,1-4,12H2,(H,23,26)(H,24,28)