N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[(5-pyrrolidin-1-ylcarbonyl-1,3-benzothiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[(5-pyrrolidin-1-ylcarbonyl-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-[[5-(pyrrolidine-1-carbonyl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[[5-[oxo(1-pyrrolidinyl)methyl]-1,3-benzothiazol-2-yl]thio]acetamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[5-(pyrrolidine-1-carbonyl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-[[5-(pyrrolidine-1-carbonyl)-1,3-benzothiazol-2-yl]thio]acetamide Formula: C25H25N5O3S2 MolecularWeight: 507.6277

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NC4=C(S3)C=CC(=C4)C(=O)N5CCCC5

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NC4=C(S3)C=CC(=C4)C(=O)N5CCCC5

InChI

InChI=1S/C25H25N5O3S2/c1-16-22(24(33)30(28(16)2)18-8-4-3-5-9-18)27-21(31)15-34-25-26-19-14-17(10-11-20(19)35-25)23(32)29-12-6-7-13-29/h3-5,8-11,14H,6-7,12-13,15H2,1-2H3,(H,27,31)