2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide Openeye Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-N-[(4-fluorophenyl)methyl]-3-pyridinecarboxamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-N-(4-fluorobenzyl)nicotinamide Formula: C22H18FN3O4S MolecularWeight: 439.459423

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=C(C=CC=N3)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=C(C=CC=N3)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C22H18FN3O4S/c23-15-5-3-14(4-6-15)11-25-21(28)17-2-1-9-24-22(17)31-12-20(27)26-16-7-8-18-19(10-16)30-13-29-18/h1-10H,11-13H2,(H,25,28)(H,26,27)