N-(1,3-benzodioxol-5-ylcarbamoyl)-3-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-3-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-3-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]propanamide CAS Name: N-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-3-[[5-(trifluoromethyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-3-[5-(trifluoromethyl)pyridin-2-yl]sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-3-[[5-(trifluoromethyl)-2-pyridyl]thio]propionamide Formula: C17H14F3N3O4S MolecularWeight: 413.37097

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)NC(=O)CCSC3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)NC(=O)CCSC3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H14F3N3O4S/c18-17(19,20)10-1-4-15(21-8-10)28-6-5-14(24)23-16(25)22-11-2-3-12-13(7-11)27-9-26-12/h1-4,7-8H,5-6,9H2,(H2,22,23,24,25)