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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O4S/c1-4-6-7-16(25)21-17(12(3)5-2)18(26)22-20-24-23-19(29-20)13-8-9-14-15(10-13)28-11-27-14/h8-10,12,17H,4-7,11H2,1-3H3,(H,21,25)(H,22,24,26)