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

Systemtic Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(2-phenylsulfanylethanoylamino)pentanamide Openeye Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[(2-phenylsulfanylacetyl)amino]pentanamide CAS Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[[1-oxo-2-(phenylthio)ethyl]amino]pentanamide IUPAC Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[(2-phenylsulfanylacetyl)amino]pentanamide Traditional Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[[2-(phenylthio)acetyl]amino]valeramide Formula: C23H24N4O4S2 MolecularWeight: 484.59106

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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)CSC4=CC=CC=C4

Isomeric SMILES

CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC3=C(C=C2)OCO3)NC(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C23H24N4O4S2/c1-3-14(2)20(24-19(28)12-32-16-7-5-4-6-8-16)21(29)25-23-27-26-22(33-23)15-9-10-17-18(11-15)31-13-30-17/h4-11,14,20H,3,12-13H2,1-2H3,(H,24,28)(H,25,27,29)