2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCC3=CC4=C(C=C3)OCO4)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCC3=CC4=C(C=C3)OCO4)C(=O)N

InChI

InChI=1S/C19H20N2O4S/c20-18(23)17-12-3-1-2-4-15(12)26-19(17)21-16(22)8-6-11-5-7-13-14(9-11)25-10-24-13/h5,7,9H,1-4,6,8,10H2,(H2,20,23)(H,21,22)