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

Systemtic Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-(hexanoylamino)-3-methyl-pentanamide Openeye Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-(hexanoylamino)-3-methyl-pentanamide CAS Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(1-oxohexylamino)pentanamide IUPAC Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-(hexanoylamino)-3-methylpentanamide Traditional Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-(caproylamino)-3-methyl-valeramide Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O4S/c1-4-6-7-8-17(26)22-18(13(3)5-2)19(27)23-21-25-24-20(30-21)14-9-10-15-16(11-14)29-12-28-15/h9-11,13,18H,4-8,12H2,1-3H3,(H,22,26)(H,23,25,27)