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

Systemtic Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-(tert-butylcarbamoylamino)-3-methyl-pentanamide Openeye Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-(tert-butylcarbamoylamino)-3-methyl-pentanamide CAS Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-[[(tert-butylamino)-oxomethyl]amino]-3-methylpentanamide IUPAC Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-(tert-butylcarbamoylamino)-3-methylpentanamide Traditional Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-(tert-butylcarbamoylamino)-3-methyl-valeramide Formula: C20H27N5O4S MolecularWeight: 433.52448

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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)NC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O4S/c1-6-11(2)15(21-18(27)23-20(3,4)5)16(26)22-19-25-24-17(30-19)12-7-8-13-14(9-12)29-10-28-13/h7-9,11,15H,6,10H2,1-5H3,(H2,21,23,27)(H,22,25,26)