N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-(butanoylamino)-3-methyl-pentanamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-(butanoylamino)-3-methyl-pentanamide Openeye Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-(butanoylamino)-3-methyl-pentanamide CAS Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(1-oxobutylamino)pentanamide IUPAC Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-(butanoylamino)-3-methylpentanamide Traditional Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-butyramido-3-methyl-valeramide Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O4S/c1-4-6-15(24)20-16(11(3)5-2)17(25)21-19-23-22-18(28-19)12-7-8-13-14(9-12)27-10-26-13/h7-9,11,16H,4-6,10H2,1-3H3,(H,20,24)(H,21,23,25)