N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[[(2S)-1-oxo-2-(phenylthio)propyl]amino]benzamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-[[(2S)-2-(phenylthio)propanoyl]amino]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)C(C)SC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NC(=O)[C@H](C)SC4=CC=CC=C4

InChI

InChI=1S/C27H26N4O3S/c1-18-24(27(34)31(30(18)3)22-13-6-4-7-14-22)29-26(33)20-11-10-12-21(17-20)28-25(32)19(2)35-23-15-8-5-9-16-23/h4-17,19H,1-3H3,(H,28,32)(H,29,33)/t19-/m0/s1