2-[3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]propanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]propanoylamino]thiophene-3-carboxamide Openeye Name: 2-[3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]propanoylamino]thiophene-3-carboxamide CAS Name: 2-[[3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1-oxopropyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]propanoylamino]thiophene-3-carboxamide Traditional Name: 2-[3-[methyl(piperonyl)amino]propanoylamino]thiophene-3-carboxamide Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=O)NC1=C(C=CS1)C(=O)N)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN(CCC(=O)NC1=C(C=CS1)C(=O)N)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H19N3O4S/c1-20(9-11-2-3-13-14(8-11)24-10-23-13)6-4-15(21)19-17-12(16(18)22)5-7-25-17/h2-3,5,7-8H,4,6,9-10H2,1H3,(H2,18,22)(H,19,21)