1-(2,2-dimethylpropanoyl)-N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]pyrrolidine-2-carboxamide

Systemtic Name: 1-(2,2-dimethylpropanoyl)-N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]pyrrolidine-2-carboxamide Openeye Name: 1-(2,2-dimethylpropanoyl)-N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]pyrrolidine-2-carboxamide CAS Name: 1-(2,2-dimethyl-1-oxopropyl)-N-[2-[(3-methoxy-3-methylbutyl)thio]-1,3-benzothiazol-6-yl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(2,2-dimethylpropanoyl)-N-[2-(3-methoxy-3-methylbutyl)sulfanyl-1,3-benzothiazol-6-yl]pyrrolidine-2-carboxamide Traditional Name: N-[2-[(3-methoxy-3-methyl-butyl)thio]-1,3-benzothiazol-6-yl]-1-pivaloyl-pyrrolidine-2-carboxamide Formula: C23H33N3O3S2 MolecularWeight: 463.65642

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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)SCCC(C)(C)OC

Isomeric SMILES

CC(C)(C)C(=O)N1CCCC1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC(C)(C)OC

InChI

InChI=1S/C23H33N3O3S2/c1-22(2,3)20(28)26-12-7-8-17(26)19(27)24-15-9-10-16-18(14-15)31-21(25-16)30-13-11-23(4,5)29-6/h9-10,14,17H,7-8,11-13H2,1-6H3,(H,24,27)