2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2-pyridin-2-ylethyl)benzamide

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2-pyridin-2-ylethyl)benzamide Openeye Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-N-[2-(2-pyridyl)ethyl]benzamide CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-N-[2-(2-pyridinyl)ethyl]benzamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)benzamide Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-N-[2-(2-pyridyl)ethyl]benzamide Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=CC=CC=C3C(=O)NCCC4=CC=CC=N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=CC=CC=C3C(=O)NCCC4=CC=CC=N4

InChI

InChI=1S/C23H21N3O4S/c27-22(26-17-8-9-19-20(13-17)30-15-29-19)14-31-21-7-2-1-6-18(21)23(28)25-12-10-16-5-3-4-11-24-16/h1-9,11,13H,10,12,14-15H2,(H,25,28)(H,26,27)