N-(4-methyl-1,3-benzothiazol-2-yl)-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-benzamide

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-benzamide Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-benzamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzamide IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC=CC=C3SCC(=O)N4CCCC4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC=CC=C3SCC(=O)N4CCCC4

InChI

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