2-(1,3-benzodioxol-5-ylcarbonylamino)-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-ylcarbonylamino)-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide Openeye Name: 2-(1,3-benzodioxole-5-carbonylamino)-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide IUPAC Name: 2-(1,3-benzodioxole-5-carbonylamino)-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide Traditional Name: 6-benzyl-2-(piperonyloylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C(=C(S2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)N)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=C1C(=C(S2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)N)CC5=CC=CC=C5

InChI

InChI=1S/C23H21N3O4S/c24-21(27)20-16-8-9-26(11-14-4-2-1-3-5-14)12-19(16)31-23(20)25-22(28)15-6-7-17-18(10-15)30-13-29-17/h1-7,10H,8-9,11-13H2,(H2,24,27)(H,25,28)