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

Systemtic Name: 3,4-dimethoxy-N-[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 3,4-dimethoxy-N-[2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 3,4-dimethoxy-N-[2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 3,4-dimethoxy-N-[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: N-[2-[(2-keto-2-pyrrolidino-ethyl)thio]-1,3-benzothiazol-6-yl]-3,4-dimethoxy-benzamide Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)N4CCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)N4CCCC4)OC

InChI

InChI=1S/C22H23N3O4S2/c1-28-17-8-5-14(11-18(17)29-2)21(27)23-15-6-7-16-19(12-15)31-22(24-16)30-13-20(26)25-9-3-4-10-25/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,23,27)