N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-ethyl-butanamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-ethyl-butanamide Openeye Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-ethyl-butanamide CAS Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-ethylbutanamide IUPAC Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-ethylbutanamide Traditional Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-ethyl-butyramide Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=NN=C(S1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC(CC)C(=O)NC1=NN=C(S1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H17N3O3S/c1-3-9(4-2)13(19)16-15-18-17-14(22-15)10-5-6-11-12(7-10)21-8-20-11/h5-7,9H,3-4,8H2,1-2H3,(H,16,18,19)