N-(3-acetamido-4-fluoranyl-phenyl)-2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-benzamide

Systemtic Name: N-(3-acetamido-4-fluoranyl-phenyl)-2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-benzamide Openeye Name: N-(3-acetamido-4-fluoro-phenyl)-2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-benzamide CAS Name: N-(3-acetamido-4-fluorophenyl)-2-[[2-(1-adamantylamino)-2-oxoethyl]thio]benzamide IUPAC Name: N-(3-acetamido-4-fluorophenyl)-2-[2-(1-adamantylamino)-2-oxoethyl]sulfanylbenzamide Traditional Name: N-(3-acetamido-4-fluoro-phenyl)-2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]benzamide Formula: C27H30FN3O3S MolecularWeight: 495.608803

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4)F

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4)F

InChI

InChI=1S/C27H30FN3O3S/c1-16(32)29-23-11-20(6-7-22(23)28)30-26(34)21-4-2-3-5-24(21)35-15-25(33)31-27-12-17-8-18(13-27)10-19(9-17)14-27/h2-7,11,17-19H,8-10,12-15H2,1H3,(H,29,32)(H,30,34)(H,31,33)