3-chloranyl-N-[3-[1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]benzamide

Systemtic Name: 3-chloranyl-N-[3-[1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]benzamide Openeye Name: 3-chloro-N-[3-[1-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamoyl]propylsulfanyl]phenyl]benzamide CAS Name: 3-chloro-N-[3-[[1-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-1-oxobutan-2-yl]thio]phenyl]benzamide IUPAC Name: 3-chloro-N-[3-[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxobutan-2-yl]sulfanylphenyl]benzamide Traditional Name: 3-chloro-N-[3-[1-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)carbamoyl]propylthio]phenyl]benzamide Formula: C28H27ClN4O3S MolecularWeight: 535.05698

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C)SC3=CC=CC(=C3)NC(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCC(C(=O)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C)SC3=CC=CC(=C3)NC(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C28H27ClN4O3S/c1-4-24(27(35)31-25-18(2)32(3)33(28(25)36)22-13-6-5-7-14-22)37-23-15-9-12-21(17-23)30-26(34)19-10-8-11-20(29)16-19/h5-17,24H,4H2,1-3H3,(H,30,34)(H,31,35)