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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(3-phenylsulfanylpropanoylamino)benzamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(3-phenylsulfanylpropanoylamino)benzamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[[1-oxo-3-(phenylthio)propyl]amino]benzamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(3-phenylsulfanylpropanoylamino)benzamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-[3-(phenylthio)propanoylamino]benzamide Formula: C27H26N4O3S MolecularWeight: 486.58534

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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)CCSC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NC(=O)CCSC4=CC=CC=C4

InChI

InChI=1S/C27H26N4O3S/c1-19-25(27(34)31(30(19)2)22-12-5-3-6-13-22)29-26(33)20-10-9-11-21(18-20)28-24(32)16-17-35-23-14-7-4-8-15-23/h3-15,18H,16-17H2,1-2H3,(H,28,32)(H,29,33)