1-[5-[[3-(3-ethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-[5-[[3-(3-ethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]piperidine-4-carboxamide Openeye Name: 1-[5-[[3-(3-ethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-oxo-thiazol-2-yl]piperidine-4-carboxamide CAS Name: 1-[5-[[3-(3-ethoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-thiazolyl]-4-piperidinecarboxamide IUPAC Name: 1-[5-[[3-(3-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide Traditional Name: 1-[4-keto-5-[(3-m-phenetyl-1-phenyl-pyrazol-4-yl)methylene]-2-thiazolin-2-yl]isonipecotamide Formula: C27H27N5O3S MolecularWeight: 501.59998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCC(CC4)C(=O)N)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCC(CC4)C(=O)N)C5=CC=CC=C5

InChI

InChI=1S/C27H27N5O3S/c1-2-35-22-10-6-7-19(15-22)24-20(17-32(30-24)21-8-4-3-5-9-21)16-23-26(34)29-27(36-23)31-13-11-18(12-14-31)25(28)33/h3-10,15-18H,2,11-14H2,1H3,(H2,28,33)