N-[1-[(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[1-[(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[1-[(6-fluorothiochroman-4-yl)carbamoyl]-2-methyl-propyl]adamantane-1-carboxamide CAS Name: N-[1-[(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)amino]-3-methyl-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[1-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[1-[(6-fluorothiochroman-4-yl)carbamoyl]-2-methyl-propyl]adamantane-1-carboxamide Formula: C25H33FN2O2S MolecularWeight: 444.605123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1CCSC2=C1C=C(C=C2)F)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)C(C(=O)NC1CCSC2=C1C=C(C=C2)F)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H33FN2O2S/c1-14(2)22(23(29)27-20-5-6-31-21-4-3-18(26)10-19(20)21)28-24(30)25-11-15-7-16(12-25)9-17(8-15)13-25/h3-4,10,14-17,20,22H,5-9,11-13H2,1-2H3,(H,27,29)(H,28,30)