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

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-benzamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-benzamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(2-keto-2-pyrrolidino-ethyl)thio]benzamide Formula: C25H32N2O4S MolecularWeight: 456.59758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O4S/c1-3-30-21-12-11-19(17-22(21)31-4-2)13-14-26-25(29)20-9-5-6-10-23(20)32-18-24(28)27-15-7-8-16-27/h5-6,9-12,17H,3-4,7-8,13-16,18H2,1-2H3,(H,26,29)