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

Systemtic Name: N-(3,4-diethoxyphenyl)-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-benzamide Openeye Name: N-(3,4-diethoxyphenyl)-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-benzamide CAS Name: N-(3,4-diethoxyphenyl)-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzamide IUPAC Name: N-(3,4-diethoxyphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide Traditional Name: N-(3,4-diethoxyphenyl)-2-[(2-keto-2-pyrrolidino-ethyl)thio]benzamide Formula: C23H28N2O4S MolecularWeight: 428.54442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3)OCC

InChI

InChI=1S/C23H28N2O4S/c1-3-28-19-12-11-17(15-20(19)29-4-2)24-23(27)18-9-5-6-10-21(18)30-16-22(26)25-13-7-8-14-25/h5-6,9-12,15H,3-4,7-8,13-14,16H2,1-2H3,(H,24,27)