N,N-diethyl-3-[2-(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanylethanoylamino]benzamide

Systemtic Name: N,N-diethyl-3-[2-(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanylethanoylamino]benzamide Openeye Name: N,N-diethyl-3-[[2-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]sulfanyl]acetyl]amino]benzamide CAS Name: N,N-diethyl-3-[[1-oxo-2-[[5-[oxo(1-pyrrolidinyl)methyl]-2-pyridinyl]thio]ethyl]amino]benzamide IUPAC Name: N,N-diethyl-3-[[2-[5-(pyrrolidine-1-carbonyl)pyridin-2-yl]sulfanylacetyl]amino]benzamide Traditional Name: N,N-diethyl-3-[[2-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]thio]acetyl]amino]benzamide Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C23H28N4O3S/c1-3-26(4-2)22(29)17-8-7-9-19(14-17)25-20(28)16-31-21-11-10-18(15-24-21)23(30)27-12-5-6-13-27/h7-11,14-15H,3-6,12-13,16H2,1-2H3,(H,25,28)