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

Systemtic Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(3-methylbutanoylamino)pentanamide Openeye Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(3-methylbutanoylamino)pentanamide CAS Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[(3-methyl-1-oxobutyl)amino]pentanamide IUPAC Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(3-methylbutanoylamino)pentanamide Traditional Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-(isovalerylamino)-3-methyl-valeramide Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O4S/c1-5-12(4)17(21-16(25)8-11(2)3)18(26)22-20-24-23-19(29-20)13-6-7-14-15(9-13)28-10-27-14/h6-7,9,11-12,17H,5,8,10H2,1-4H3,(H,21,25)(H,22,24,26)