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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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