N-(3-ethynylphenyl)-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-benzamide

Systemtic Name: N-(3-ethynylphenyl)-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-benzamide Openeye Name: N-(3-ethynylphenyl)-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-benzamide CAS Name: N-(3-ethynylphenyl)-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzamide IUPAC Name: N-(3-ethynylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide Traditional Name: N-(3-ethynylphenyl)-2-[(2-keto-2-pyrrolidino-ethyl)thio]benzamide Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3

InChI

InChI=1S/C21H20N2O2S/c1-2-16-8-7-9-17(14-16)22-21(25)18-10-3-4-11-19(18)26-15-20(24)23-12-5-6-13-23/h1,3-4,7-11,14H,5-6,12-13,15H2,(H,22,25)