N-(3-acetamido-4-fluoranyl-phenyl)-2-[2-(cyclooctylamino)-2-oxidanylidene-ethyl]sulfanyl-benzamide

Systemtic Name: N-(3-acetamido-4-fluoranyl-phenyl)-2-[2-(cyclooctylamino)-2-oxidanylidene-ethyl]sulfanyl-benzamide Openeye Name: N-(3-acetamido-4-fluoro-phenyl)-2-[2-(cyclooctylamino)-2-oxo-ethyl]sulfanyl-benzamide CAS Name: N-(3-acetamido-4-fluorophenyl)-2-[[2-(cyclooctylamino)-2-oxoethyl]thio]benzamide IUPAC Name: N-(3-acetamido-4-fluorophenyl)-2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylbenzamide Traditional Name: N-(3-acetamido-4-fluoro-phenyl)-2-[[2-(cyclooctylamino)-2-keto-ethyl]thio]benzamide Formula: C25H30FN3O3S MolecularWeight: 471.587403

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2SCC(=O)NC3CCCCCCC3)F

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2SCC(=O)NC3CCCCCCC3)F

InChI

InChI=1S/C25H30FN3O3S/c1-17(30)27-22-15-19(13-14-21(22)26)29-25(32)20-11-7-8-12-23(20)33-16-24(31)28-18-9-5-3-2-4-6-10-18/h7-8,11-15,18H,2-6,9-10,16H2,1H3,(H,27,30)(H,28,31)(H,29,32)