2-(3,4-dimethylphenoxy)-N-[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-1,3-benzothiazol-6-yl]ethanamide

Systemtic Name: 2-(3,4-dimethylphenoxy)-N-[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-1,3-benzothiazol-6-yl]ethanamide Openeye Name: 2-(3,4-dimethylphenoxy)-N-[2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-1,3-benzothiazol-6-yl]acetamide CAS Name: 2-(3,4-dimethylphenoxy)-N-[2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-1,3-benzothiazol-6-yl]acetamide IUPAC Name: 2-(3,4-dimethylphenoxy)-N-[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3-benzothiazol-6-yl]acetamide Traditional Name: 2-(3,4-dimethylphenoxy)-N-[2-[(2-keto-2-pyrrolidino-ethyl)thio]-1,3-benzothiazol-6-yl]acetamide Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)N4CCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)N4CCCC4)C

InChI

InChI=1S/C23H25N3O3S2/c1-15-5-7-18(11-16(15)2)29-13-21(27)24-17-6-8-19-20(12-17)31-23(25-19)30-14-22(28)26-9-3-4-10-26/h5-8,11-12H,3-4,9-10,13-14H2,1-2H3,(H,24,27)