N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-1-oxo-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: 1-keto-2-methyl-N-piperonyl-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC=CS5

Isomeric SMILES

CN1C(C(C2=CC=CC=C2C1=O)C(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC=CS5

InChI

InChI=1S/C23H20N2O4S/c1-25-21(19-7-4-10-30-19)20(15-5-2-3-6-16(15)23(25)27)22(26)24-12-14-8-9-17-18(11-14)29-13-28-17/h2-11,20-21H,12-13H2,1H3,(H,24,26)