N-cyclohexyl-4-[[2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]methyl]benzamide

Systemtic Name: N-cyclohexyl-4-[[2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]methyl]benzamide Openeye Name: N-cyclohexyl-4-[[2-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]methyl]benzamide CAS Name: N-cyclohexyl-4-[[2-[[2-(4-fluoroanilino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]methyl]benzamide IUPAC Name: N-cyclohexyl-4-[[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]benzamide Traditional Name: N-cyclohexyl-4-[[2-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]methyl]benzamide Formula: C30H29FN4O3S MolecularWeight: 544.639663

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CC=C(C=C2)CN3C(=O)C4=CC=CC=C4N=C3SCC(=O)NC5=CC=C(C=C5)F

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CC=C(C=C2)CN3C(=O)C4=CC=CC=C4N=C3SCC(=O)NC5=CC=C(C=C5)F

InChI

InChI=1S/C30H29FN4O3S/c31-22-14-16-24(17-15-22)32-27(36)19-39-30-34-26-9-5-4-8-25(26)29(38)35(30)18-20-10-12-21(13-11-20)28(37)33-23-6-2-1-3-7-23/h4-5,8-17,23H,1-3,6-7,18-19H2,(H,32,36)(H,33,37)