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

Systemtic Name: 5-oxidanylidene-1-(phenylmethyl)-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]pyrrolidine-2-carboxamide Openeye Name: 1-benzyl-5-oxo-N-[2-(3-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]pyrrolidine-2-carboxamide CAS Name: 5-oxo-1-(phenylmethyl)-N-[2-(3-pyridinylmethylthio)-1,3-benzothiazol-6-yl]-2-pyrrolidinecarboxamide IUPAC Name: 1-benzyl-5-oxo-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]pyrrolidine-2-carboxamide Traditional Name: 1-benzyl-5-keto-N-[2-(3-pyridylmethylthio)-1,3-benzothiazol-6-yl]pyrrolidine-2-carboxamide Formula: C25H22N4O2S2 MolecularWeight: 474.59778

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CN=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CC(=O)N(C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CN=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C25H22N4O2S2/c30-23-11-10-21(29(23)15-17-5-2-1-3-6-17)24(31)27-19-8-9-20-22(13-19)33-25(28-20)32-16-18-7-4-12-26-14-18/h1-9,12-14,21H,10-11,15-16H2,(H,27,31)