2-[3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanoylamino]thiophene-3-carboxamide Openeye Name: 2-[3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanoylamino]thiophene-3-carboxamide CAS Name: 2-[[3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-1-oxopropyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanoylamino]thiophene-3-carboxamide Traditional Name: 2-[3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanoylamino]thiophene-3-carboxamide Formula: C18H21N3O4S MolecularWeight: 375.44204

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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)OCCO3

Isomeric SMILES

CN(CCC(=O)NC1=C(C=CS1)C(=O)N)CC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H21N3O4S/c1-21(11-12-2-3-14-15(10-12)25-8-7-24-14)6-4-16(22)20-18-13(17(19)23)5-9-26-18/h2-3,5,9-10H,4,6-8,11H2,1H3,(H2,19,23)(H,20,22)