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

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-5-chloranyl-pentanamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-5-chloro-pentanamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-5-chloropentanamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-5-chloropentanamide Traditional Name: 5-chloro-N-[5-(piperonylamino)-1,3,4-thiadiazol-2-yl]valeramide Formula: C15H17ClN4O3S MolecularWeight: 368.83848

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NN=C(S3)NC(=O)CCCCCl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NN=C(S3)NC(=O)CCCCCl

InChI

InChI=1S/C15H17ClN4O3S/c16-6-2-1-3-13(21)18-15-20-19-14(24-15)17-8-10-4-5-11-12(7-10)23-9-22-11/h4-5,7H,1-3,6,8-9H2,(H,17,19)(H,18,20,21)