N-(4-oxidanylidene-1,3-thiazol-2-yl)-1-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-oxidanylidene-1,3-thiazol-2-yl)-1-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(4-oxothiazol-2-yl)-1-(1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)piperidine-4-carboxamide CAS Name: 1-[oxo-[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]-N-(4-oxo-2-thiazolyl)-4-piperidinecarboxamide IUPAC Name: N-(4-oxo-1,3-thiazol-2-yl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide Traditional Name: N-(4-keto-2-thiazolin-2-yl)-1-(1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)isonipecotamide Formula: C23H22N6O3S MolecularWeight: 462.52418

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=NC(=O)CS2)C(=O)C3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)NC2=NC(=O)CS2)C(=O)C3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

InChI

InChI=1S/C23H22N6O3S/c30-19-15-33-23(25-19)26-20(31)16-8-12-28(13-9-16)22(32)18-14-24-29(17-6-2-1-3-7-17)21(18)27-10-4-5-11-27/h1-7,10-11,14,16H,8-9,12-13,15H2,(H,25,26,30,31)