N-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-oxomethyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC(=O)NCC2COC3=CC=CC=C3O2)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC(=O)NCC2COC3=CC=CC=C3O2)C4=CC=CC=C4

InChI

InChI=1S/C22H23N5O4S/c1-2-27-20(15-8-4-3-5-9-15)25-26-22(27)32-14-19(28)24-21(29)23-12-16-13-30-17-10-6-7-11-18(17)31-16/h3-11,16H,2,12-14H2,1H3,(H2,23,24,28,29)