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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-methyl-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-methyl-1-oxo-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-methyl-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-methyl-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-keto-2-methyl-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=CS5

Isomeric SMILES

CN1C(C(C2=CC=CC=C2C1=O)C(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=CS5

InChI

InChI=1S/C22H18N2O4S/c1-24-20(18-7-4-10-29-18)19(14-5-2-3-6-15(14)22(24)26)21(25)23-13-8-9-16-17(11-13)28-12-27-16/h2-11,19-20H,12H2,1H3,(H,23,25)