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

Systemtic Name: 1-(2,2-dimethylpropanoyl)-N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]pyrrolidine-2-carboxamide Openeye Name: 1-(2,2-dimethylpropanoyl)-N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]pyrrolidine-2-carboxamide CAS Name: 1-(2,2-dimethyl-1-oxopropyl)-N-[2-[(2-methoxyphenyl)methylthio]-1,3-benzothiazol-6-yl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(2,2-dimethylpropanoyl)-N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]pyrrolidine-2-carboxamide Traditional Name: N-[2-(o-anisylthio)-1,3-benzothiazol-6-yl]-1-pivaloyl-pyrrolidine-2-carboxamide Formula: C25H29N3O3S2 MolecularWeight: 483.64606

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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=CC=CC=C4OC

Isomeric SMILES

CC(C)(C)C(=O)N1CCCC1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=CC=C4OC

InChI

InChI=1S/C25H29N3O3S2/c1-25(2,3)23(30)28-13-7-9-19(28)22(29)26-17-11-12-18-21(14-17)33-24(27-18)32-15-16-8-5-6-10-20(16)31-4/h5-6,8,10-12,14,19H,7,9,13,15H2,1-4H3,(H,26,29)