2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)ethanamide

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)ethanamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]acetamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]acetamide Formula: C17H21N3O3S2 MolecularWeight: 379.49694

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NN=C(S1)NC(=O)CSC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCC(CC)C1=NN=C(S1)NC(=O)CSC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H21N3O3S2/c1-3-11(4-2)16-19-20-17(25-16)18-15(21)10-24-12-5-6-13-14(9-12)23-8-7-22-13/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,18,20,21)