N-(2-methyl-1,3-benzothiazol-6-yl)-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-benzamide

Systemtic Name: N-(2-methyl-1,3-benzothiazol-6-yl)-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-benzamide Openeye Name: N-(2-methyl-1,3-benzothiazol-6-yl)-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-benzamide CAS Name: N-(2-methyl-1,3-benzothiazol-6-yl)-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzamide IUPAC Name: N-(2-methyl-1,3-benzothiazol-6-yl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3SCC(=O)N4CCCC4

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3SCC(=O)N4CCCC4

InChI

InChI=1S/C21H21N3O2S2/c1-14-22-17-9-8-15(12-19(17)28-14)23-21(26)16-6-2-3-7-18(16)27-13-20(25)24-10-4-5-11-24/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,23,26)