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

Systemtic Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(3-phenylpropanoylamino)pentanamide Openeye Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(3-phenylpropanoylamino)pentanamide CAS Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[(1-oxo-3-phenylpropyl)amino]pentanamide IUPAC Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(3-phenylpropanoylamino)pentanamide Traditional Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-(hydrocinnamoylamino)-3-methyl-valeramide Formula: C24H26N4O4S MolecularWeight: 466.55264

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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)CCC4=CC=CC=C4

Isomeric SMILES

CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC3=C(C=C2)OCO3)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O4S/c1-3-15(2)21(25-20(29)12-9-16-7-5-4-6-8-16)22(30)26-24-28-27-23(33-24)17-10-11-18-19(13-17)32-14-31-18/h4-8,10-11,13,15,21H,3,9,12,14H2,1-2H3,(H,25,29)(H,26,28,30)