N-[(2S)-1-[4-cyclohexyl-3-oxidanylidene-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]ethanamide

Systemtic Name: N-[(2S)-1-[4-cyclohexyl-3-oxidanylidene-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]ethanamide Openeye Name: N-[(1S)-1-[4-cyclohexyl-3-oxo-6-(4-pyridylmethoxy)-1,4-diazepane-1-carbonyl]-3-methylsulfanyl-propyl]acetamide CAS Name: N-[(2S)-1-[4-cyclohexyl-3-oxo-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]-4-(methylthio)-1-oxobutan-2-yl]acetamide IUPAC Name: N-[(2S)-1-[4-cyclohexyl-3-oxo-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]acetamide Traditional Name: N-[(1S)-1-[4-cyclohexyl-3-keto-6-(4-pyridylmethoxy)-1,4-diazepane-1-carbonyl]-3-(methylthio)propyl]acetamide Formula: C24H36N4O4S MolecularWeight: 476.63204

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCSC)C(=O)N1CC(CN(C(=O)C1)C2CCCCC2)OCC3=CC=NC=C3

Isomeric SMILES

CC(=O)N[C@@H](CCSC)C(=O)N1CC(CN(C(=O)C1)C2CCCCC2)OCC3=CC=NC=C3

InChI

InChI=1S/C24H36N4O4S/c1-18(29)26-22(10-13-33-2)24(31)27-14-21(32-17-19-8-11-25-12-9-19)15-28(23(30)16-27)20-6-4-3-5-7-20/h8-9,11-12,20-22H,3-7,10,13-17H2,1-2H3,(H,26,29)/t21?,22-/m0/s1