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

Systemtic Name: 2-methyl-N-(3-morpholin-4-ylpropyl)-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: 2-methyl-N-(3-morpholinopropyl)-1-oxo-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxamide CAS Name: 2-methyl-N-[3-(4-morpholinyl)propyl]-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: 2-methyl-N-(3-morpholin-4-ylpropyl)-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: 1-keto-2-methyl-N-(3-morpholinopropyl)-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)NCCCN3CCOCC3)C4=CC=CS4

Isomeric SMILES

CN1C(C(C2=CC=CC=C2C1=O)C(=O)NCCCN3CCOCC3)C4=CC=CS4

InChI

InChI=1S/C22H27N3O3S/c1-24-20(18-8-4-15-29-18)19(16-6-2-3-7-17(16)22(24)27)21(26)23-9-5-10-25-11-13-28-14-12-25/h2-4,6-8,15,19-20H,5,9-14H2,1H3,(H,23,26)