N-[3-[4-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]butyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]ethanamide

Systemtic Name: N-[3-[4-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]butyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]ethanamide Openeye Name: N-[3-[4-[4-(4-fluorobenzoyl)-1-piperidyl]butyl]-4-oxo-2-thioxo-1H-quinazolin-7-yl]acetamide CAS Name: N-[3-[4-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]butyl]-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl]acetamide IUPAC Name: N-[3-[4-[4-(4-fluorobenzoyl)piperidin-1-yl]butyl]-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl]acetamide Traditional Name: N-[3-[4-[4-(4-fluorobenzoyl)piperidino]butyl]-4-keto-2-thioxo-1H-quinazolin-7-yl]acetamide Formula: C26H29FN4O3S MolecularWeight: 496.596863

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCCCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCCCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H29FN4O3S/c1-17(32)28-21-8-9-22-23(16-21)29-26(35)31(25(22)34)13-3-2-12-30-14-10-19(11-15-30)24(33)18-4-6-20(27)7-5-18/h4-9,16,19H,2-3,10-15H2,1H3,(H,28,32)(H,29,35)