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

Systemtic Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(2-thiophen-2-ylethanoylamino)pentanamide Openeye Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[[2-(2-thienyl)acetyl]amino]pentanamide CAS Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[(1-oxo-2-thiophen-2-ylethyl)amino]pentanamide IUPAC Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[(2-thiophen-2-ylacetyl)amino]pentanamide Traditional Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[[2-(2-thienyl)acetyl]amino]valeramide Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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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)CC4=CC=CS4

Isomeric SMILES

CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC3=C(C=C2)OCO3)NC(=O)CC4=CC=CS4

InChI

InChI=1S/C21H22N4O4S2/c1-3-12(2)18(22-17(26)10-14-5-4-8-30-14)19(27)23-21-25-24-20(31-21)13-6-7-15-16(9-13)29-11-28-15/h4-9,12,18H,3,10-11H2,1-2H3,(H,22,26)(H,23,25,27)