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

Systemtic Name: 1-[5-[[3-(4-butoxy-3-chloranyl-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]piperidine-4-carboxamide Openeye Name: 1-[5-[[3-(4-butoxy-3-chloro-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-oxo-thiazol-2-yl]piperidine-4-carboxamide CAS Name: 1-[5-[[3-(4-butoxy-3-chlorophenyl)-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-thiazolyl]-4-piperidinecarboxamide IUPAC Name: 1-[5-[[3-(4-butoxy-3-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide Traditional Name: 1-[5-[[3-(4-butoxy-3-chloro-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-keto-2-thiazolin-2-yl]isonipecotamide Formula: C29H30ClN5O3S MolecularWeight: 564.0982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCC(CC4)C(=O)N)C5=CC=CC=C5)Cl

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCC(CC4)C(=O)N)C5=CC=CC=C5)Cl

InChI

InChI=1S/C29H30ClN5O3S/c1-2-3-15-38-24-10-9-20(16-23(24)30)26-21(18-35(33-26)22-7-5-4-6-8-22)17-25-28(37)32-29(39-25)34-13-11-19(12-14-34)27(31)36/h4-10,16-19H,2-3,11-15H2,1H3,(H2,31,36)