3-bromanyl-N-[1-(cyanomethylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide

Systemtic Name: 3-bromanyl-N-[1-(cyanomethylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide Openeye Name: 3-bromo-N-[2-(cyanomethylamino)-1-(cyclohexylmethyl)-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: 3-bromo-N-[1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl]-2-thiophenecarboxamide IUPAC Name: 3-bromo-N-[1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl]thiophene-2-carboxamide Traditional Name: 3-bromo-N-[2-(cyanomethylamino)-1-(cyclohexylmethyl)-2-keto-ethyl]thiophene-2-carboxamide Formula: C16H20BrN3O2S MolecularWeight: 398.3179

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NCC#N)NC(=O)C2=C(C=CS2)Br

Isomeric SMILES

C1CCC(CC1)CC(C(=O)NCC#N)NC(=O)C2=C(C=CS2)Br

InChI

InChI=1S/C16H20BrN3O2S/c17-12-6-9-23-14(12)16(22)20-13(15(21)19-8-7-18)10-11-4-2-1-3-5-11/h6,9,11,13H,1-5,8,10H2,(H,19,21)(H,20,22)