3-cyclopentyl-2-[(3S)-1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-cyclopentyl-2-[(3S)-1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl]sulfanyl-quinazolin-4-one Openeye Name: 3-cyclopentyl-2-[(3S)-1-(4-fluorobenzoyl)-2-oxo-azepan-3-yl]sulfanyl-quinazolin-4-one CAS Name: 3-cyclopentyl-2-[[(3S)-1-[(4-fluorophenyl)-oxomethyl]-2-oxo-3-azepanyl]thio]-4-quinazolinone IUPAC Name: 3-cyclopentyl-2-[(3S)-1-(4-fluorobenzoyl)-2-oxoazepan-3-yl]sulfanylquinazolin-4-one Traditional Name: 3-cyclopentyl-2-[[(3S)-1-(4-fluorobenzoyl)-2-keto-azepan-3-yl]thio]quinazolin-4-one Formula: C26H26FN3O3S MolecularWeight: 479.566343

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SC4CCCCN(C4=O)C(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1CCN(C(=O)[C@H](C1)SC2=NC3=CC=CC=C3C(=O)N2C4CCCC4)C(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H26FN3O3S/c27-18-14-12-17(13-15-18)23(31)29-16-6-5-11-22(25(29)33)34-26-28-21-10-4-3-9-20(21)24(32)30(26)19-7-1-2-8-19/h3-4,9-10,12-15,19,22H,1-2,5-8,11,16H2/t22-/m0/s1