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

Systemtic Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(2-phenylbutanoylamino)pentanamide Openeye Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(2-phenylbutanoylamino)pentanamide CAS Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[(1-oxo-2-phenylbutyl)amino]pentanamide IUPAC Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(2-phenylbutanoylamino)pentanamide Traditional Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(2-phenylbutanoylamino)valeramide Formula: C25H28N4O4S MolecularWeight: 480.57922

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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)C(CC)C4=CC=CC=C4

Isomeric SMILES

CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC3=C(C=C2)OCO3)NC(=O)C(CC)C4=CC=CC=C4

InChI

InChI=1S/C25H28N4O4S/c1-4-15(3)21(26-22(30)18(5-2)16-9-7-6-8-10-16)23(31)27-25-29-28-24(34-25)17-11-12-19-20(13-17)33-14-32-19/h6-13,15,18,21H,4-5,14H2,1-3H3,(H,26,30)(H,27,29,31)