N-(1-azanyl-1-oxidanylidene-3-thiophen-2-yl-propan-2-yl)-1-(2,5-dimethylpyrazol-3-yl)carbonyl-4-prop-2-ynoxy-piperidine-2-carboxamide

Systemtic Name: N-(1-azanyl-1-oxidanylidene-3-thiophen-2-yl-propan-2-yl)-1-(2,5-dimethylpyrazol-3-yl)carbonyl-4-prop-2-ynoxy-piperidine-2-carboxamide Openeye Name: N-[2-amino-2-oxo-1-(2-thienylmethyl)ethyl]-1-(2,5-dimethylpyrazole-3-carbonyl)-4-prop-2-ynoxy-piperidine-2-carboxamide CAS Name: N-(1-amino-1-oxo-3-thiophen-2-ylpropan-2-yl)-1-[(2,5-dimethyl-3-pyrazolyl)-oxomethyl]-4-prop-2-ynoxy-2-piperidinecarboxamide IUPAC Name: N-(1-amino-1-oxo-3-thiophen-2-ylpropan-2-yl)-1-(2,5-dimethylpyrazole-3-carbonyl)-4-prop-2-ynoxypiperidine-2-carboxamide Traditional Name: N-[2-amino-2-keto-1-(2-thenyl)ethyl]-1-(2,5-dimethylpyrazole-3-carbonyl)-4-propargyloxy-pipecolinamide Formula: C22H27N5O4S MolecularWeight: 457.54588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)N2CCC(CC2C(=O)NC(CC3=CC=CS3)C(=O)N)OCC#C)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)N2CCC(CC2C(=O)NC(CC3=CC=CS3)C(=O)N)OCC#C)C

InChI

InChI=1S/C22H27N5O4S/c1-4-9-31-15-7-8-27(22(30)19-11-14(2)25-26(19)3)18(12-15)21(29)24-17(20(23)28)13-16-6-5-10-32-16/h1,5-6,10-11,15,17-18H,7-9,12-13H2,2-3H3,(H2,23,28)(H,24,29)