N-[3-[[4-(4-acetamido-2-fluoranyl-phenyl)-1,3-thiazol-2-yl]amino]-3-oxidanylidene-propyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[[4-(4-acetamido-2-fluoranyl-phenyl)-1,3-thiazol-2-yl]amino]-3-oxidanylidene-propyl]adamantane-1-carboxamide Openeye Name: N-[3-[[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]amino]-3-oxo-propyl]adamantane-1-carboxamide CAS Name: N-[3-[[4-(4-acetamido-2-fluorophenyl)-2-thiazolyl]amino]-3-oxopropyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]adamantane-1-carboxamide Traditional Name: N-[3-[[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]amino]-3-keto-propyl]adamantane-1-carboxamide Formula: C25H29FN4O3S MolecularWeight: 484.586163

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4)F

InChI

InChI=1S/C25H29FN4O3S/c1-14(31)28-18-2-3-19(20(26)9-18)21-13-34-24(29-21)30-22(32)4-5-27-23(33)25-10-15-6-16(11-25)8-17(7-15)12-25/h2-3,9,13,15-17H,4-8,10-12H2,1H3,(H,27,33)(H,28,31)(H,29,30,32)