1-(2,2-dimethylpropanoyl)-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]pyrrolidine-2-carboxamide

Systemtic Name: 1-(2,2-dimethylpropanoyl)-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]pyrrolidine-2-carboxamide Openeye Name: 1-(2,2-dimethylpropanoyl)-N-[2-(3-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]pyrrolidine-2-carboxamide CAS Name: 1-(2,2-dimethyl-1-oxopropyl)-N-[2-(3-pyridinylmethylthio)-1,3-benzothiazol-6-yl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(2,2-dimethylpropanoyl)-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]pyrrolidine-2-carboxamide Traditional Name: 1-pivaloyl-N-[2-(3-pyridylmethylthio)-1,3-benzothiazol-6-yl]pyrrolidine-2-carboxamide Formula: C23H26N4O2S2 MolecularWeight: 454.60814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCCC1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CN=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)N1CCCC1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CN=CC=C4

InChI

InChI=1S/C23H26N4O2S2/c1-23(2,3)21(29)27-11-5-7-18(27)20(28)25-16-8-9-17-19(12-16)31-22(26-17)30-14-15-6-4-10-24-13-15/h4,6,8-10,12-13,18H,5,7,11,14H2,1-3H3,(H,25,28)