N-[4-[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]cyclopropanecarboxamide

Systemtic Name: N-[4-[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]cyclopropanecarboxamide Openeye Name: N-[4-[2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-oxo-1-phenyl-ethyl]sulfanylphenyl]cyclopropanecarboxamide CAS Name: N-[4-[[2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-2-oxo-1-phenylethyl]thio]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]cyclopropanecarboxamide Traditional Name: N-[4-[[2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]-1-phenyl-ethyl]thio]phenyl]cyclopropanecarboxamide Formula: C29H28N4O3S MolecularWeight: 512.62262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C3=CC=CC=C3)SC4=CC=C(C=C4)NC(=O)C5CC5

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C3=CC=CC=C3)SC4=CC=C(C=C4)NC(=O)C5CC5

InChI

InChI=1S/C29H28N4O3S/c1-19-25(29(36)33(32(19)2)23-11-7-4-8-12-23)31-28(35)26(20-9-5-3-6-10-20)37-24-17-15-22(16-18-24)30-27(34)21-13-14-21/h3-12,15-18,21,26H,13-14H2,1-2H3,(H,30,34)(H,31,35)