1-[2-[(4-azanyl-3,4-dihydro-2H-thiochromen-3-yl)carbonylamino]-3-(4-fluorophenyl)propanoyl]-N-tert-butyl-4-cyclohexyl-piperidine-4-carboxamide

Systemtic Name: 1-[2-[(4-azanyl-3,4-dihydro-2H-thiochromen-3-yl)carbonylamino]-3-(4-fluorophenyl)propanoyl]-N-tert-butyl-4-cyclohexyl-piperidine-4-carboxamide Openeye Name: 1-[2-[(4-aminothiochromane-3-carbonyl)amino]-3-(4-fluorophenyl)propanoyl]-N-tert-butyl-4-cyclohexyl-piperidine-4-carboxamide CAS Name: 1-[2-[[(4-amino-3,4-dihydro-2H-1-benzothiopyran-3-yl)-oxomethyl]amino]-3-(4-fluorophenyl)-1-oxopropyl]-N-tert-butyl-4-cyclohexyl-4-piperidinecarboxamide IUPAC Name: 1-[2-[(4-amino-3,4-dihydro-2H-thiochromene-3-carbonyl)amino]-3-(4-fluorophenyl)propanoyl]-N-tert-butyl-4-cyclohexylpiperidine-4-carboxamide Traditional Name: 1-[2-[(4-aminothiochroman-3-carbonyl)amino]-3-(4-fluorophenyl)propanoyl]-N-tert-butyl-4-cyclohexyl-isonipecotamide Formula: C35H47FN4O3S MolecularWeight: 622.836083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)C(CC2=CC=C(C=C2)F)NC(=O)C3CSC4=CC=CC=C4C3N)C5CCCCC5

Isomeric SMILES

CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)C(CC2=CC=C(C=C2)F)NC(=O)C3CSC4=CC=CC=C4C3N)C5CCCCC5

InChI

InChI=1S/C35H47FN4O3S/c1-34(2,3)39-33(43)35(24-9-5-4-6-10-24)17-19-40(20-18-35)32(42)28(21-23-13-15-25(36)16-14-23)38-31(41)27-22-44-29-12-8-7-11-26(29)30(27)37/h7-8,11-16,24,27-28,30H,4-6,9-10,17-22,37H2,1-3H3,(H,38,41)(H,39,43)