6,7-dimethoxy-2-(2-methylpropyl)-1-oxidanylidene-N-(thiophen-2-ylmethyl)isoquinoline-4-carboxamide

Systemtic Name: 6,7-dimethoxy-2-(2-methylpropyl)-1-oxidanylidene-N-(thiophen-2-ylmethyl)isoquinoline-4-carboxamide Openeye Name: 2-isobutyl-6,7-dimethoxy-1-oxo-N-(2-thienylmethyl)isoquinoline-4-carboxamide CAS Name: 6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-N-(thiophen-2-ylmethyl)-4-isoquinolinecarboxamide IUPAC Name: 6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-N-(thiophen-2-ylmethyl)isoquinoline-4-carboxamide Traditional Name: 2-isobutyl-1-keto-6,7-dimethoxy-N-(2-thenyl)isoquinoline-4-carboxamide Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NCC3=CC=CS3

Isomeric SMILES

CC(C)CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NCC3=CC=CS3

InChI

InChI=1S/C21H24N2O4S/c1-13(2)11-23-12-17(20(24)22-10-14-6-5-7-28-14)15-8-18(26-3)19(27-4)9-16(15)21(23)25/h5-9,12-13H,10-11H2,1-4H3,(H,22,24)