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

Systemtic Name: N-[(2S)-1-[[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]cyclohexanecarboxamide Openeye Name: N-[(1S)-1-[[(4S)-6-fluorothiochroman-4-yl]carbamoyl]-2-methyl-propyl]cyclohexanecarboxamide CAS Name: N-[(2S)-1-[[(4S)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide IUPAC Name: N-[(2S)-1-[[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide Traditional Name: N-[(1S)-1-[[(4S)-6-fluorothiochroman-4-yl]carbamoyl]-2-methyl-propyl]cyclohexanecarboxamide Formula: C21H29FN2O2S MolecularWeight: 392.530563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1CCSC2=C1C=C(C=C2)F)NC(=O)C3CCCCC3

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@H]1CCSC2=C1C=C(C=C2)F)NC(=O)C3CCCCC3

InChI

InChI=1S/C21H29FN2O2S/c1-13(2)19(24-20(25)14-6-4-3-5-7-14)21(26)23-17-10-11-27-18-9-8-15(22)12-16(17)18/h8-9,12-14,17,19H,3-7,10-11H2,1-2H3,(H,23,26)(H,24,25)/t17-,19-/m0/s1