N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-oxidanylidene-1-(phenylmethyl)pyrrolidine-3-carboxamide

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-oxidanylidene-1-(phenylmethyl)pyrrolidine-3-carboxamide Openeye Name: 1-benzyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-5-oxo-1-(phenylmethyl)-3-pyrrolidinecarboxamide IUPAC Name: 1-benzyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-oxopyrrolidine-3-carboxamide Traditional Name: 1-benzyl-5-keto-N-[2-(methylthio)-1,3-benzothiazol-6-yl]pyrrolidine-3-carboxamide Formula: C20H19N3O2S2 MolecularWeight: 397.51376

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CC(=O)N(C3)CC4=CC=CC=C4

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CC(=O)N(C3)CC4=CC=CC=C4

InChI

InChI=1S/C20H19N3O2S2/c1-26-20-22-16-8-7-15(10-17(16)27-20)21-19(25)14-9-18(24)23(12-14)11-13-5-3-2-4-6-13/h2-8,10,14H,9,11-12H2,1H3,(H,21,25)