N-[4-[1-oxidanylidene-1-[(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)amino]propan-2-yl]sulfanylphenyl]butanamide

Systemtic Name: N-[4-[1-oxidanylidene-1-[(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)amino]propan-2-yl]sulfanylphenyl]butanamide Openeye Name: N-[4-[1-methyl-2-oxo-2-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]ethyl]sulfanylphenyl]butanamide CAS Name: N-[4-[[1-oxo-1-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]propan-2-yl]thio]phenyl]butanamide IUPAC Name: N-[4-[1-oxo-1-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]propan-2-yl]sulfanylphenyl]butanamide Traditional Name: N-[4-[[2-keto-2-[(5-keto-1-phenyl-2-pyrazolin-3-yl)amino]-1-methyl-ethyl]thio]phenyl]butyramide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)SC(C)C(=O)NC2=NN(C(=O)C2)C3=CC=CC=C3

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)SC(C)C(=O)NC2=NN(C(=O)C2)C3=CC=CC=C3

InChI

InChI=1S/C22H24N4O3S/c1-3-7-20(27)23-16-10-12-18(13-11-16)30-15(2)22(29)24-19-14-21(28)26(25-19)17-8-5-4-6-9-17/h4-6,8-13,15H,3,7,14H2,1-2H3,(H,23,27)(H,24,25,29)