2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-methyl-N-phenyl-butanamide

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-methyl-N-phenyl-butanamide Openeye Name: 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-methyl-N-phenyl-butanamide CAS Name: 2-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-2-methyl-N-phenylbutanamide IUPAC Name: 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-methyl-N-phenylbutanamide Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylthio)acetyl]-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]-2-methyl-N-phenyl-butyramide Formula: C31H31N5O3S2 MolecularWeight: 585.73954

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)NC1=CC=CC=C1)N(C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(=O)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

CCC(C)(C(=O)NC1=CC=CC=C1)N(C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(=O)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C31H31N5O3S2/c1-5-31(3,29(39)32-22-14-8-6-9-15-22)35(26(37)20-40-30-33-24-18-12-13-19-25(24)41-30)27-21(2)34(4)36(28(27)38)23-16-10-7-11-17-23/h6-19H,5,20H2,1-4H3,(H,32,39)