N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[4-(2-thienyl)butanoylamino]benzamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[(1-oxo-4-thiophen-2-ylbutyl)amino]benzamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-[4-(2-thienyl)butanoylamino]benzamide Formula: C26H26N4O3S MolecularWeight: 474.57464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NC(=O)CCCC4=CC=CS4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NC(=O)CCCC4=CC=CS4

InChI

InChI=1S/C26H26N4O3S/c1-18-24(26(33)30(29(18)2)21-11-4-3-5-12-21)28-25(32)19-9-6-10-20(17-19)27-23(31)15-7-13-22-14-8-16-34-22/h3-6,8-12,14,16-17H,7,13,15H2,1-2H3,(H,27,31)(H,28,32)