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

Systemtic Name: N-(3,3-diethoxypropyl)-2-methyl-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: N-(3,3-diethoxypropyl)-2-methyl-1-oxo-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxamide CAS Name: N-(3,3-diethoxypropyl)-2-methyl-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: N-(3,3-diethoxypropyl)-2-methyl-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: N-(3,3-diethoxypropyl)-1-keto-2-methyl-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCNC(=O)C1C(N(C(=O)C2=CC=CC=C12)C)C3=CC=CS3)OCC

Isomeric SMILES

CCOC(CCNC(=O)C1C(N(C(=O)C2=CC=CC=C12)C)C3=CC=CS3)OCC

InChI

InChI=1S/C22H28N2O4S/c1-4-27-18(28-5-2)12-13-23-21(25)19-15-9-6-7-10-16(15)22(26)24(3)20(19)17-11-8-14-29-17/h6-11,14,18-20H,4-5,12-13H2,1-3H3,(H,23,25)