N-(3-morpholin-4-ylpropyl)-3-oxidanylidene-2-(thiophen-2-ylmethyl)-1H-isoindole-4-carboxamide

Systemtic Name: N-(3-morpholin-4-ylpropyl)-3-oxidanylidene-2-(thiophen-2-ylmethyl)-1H-isoindole-4-carboxamide Openeye Name: N-(3-morpholinopropyl)-3-oxo-2-(2-thienylmethyl)isoindoline-4-carboxamide CAS Name: N-[3-(4-morpholinyl)propyl]-3-oxo-2-(thiophen-2-ylmethyl)-1H-isoindole-4-carboxamide IUPAC Name: N-(3-morpholin-4-ylpropyl)-3-oxo-2-(thiophen-2-ylmethyl)-1H-isoindole-4-carboxamide Traditional Name: 3-keto-N-(3-morpholinopropyl)-2-(2-thenyl)isoindoline-4-carboxamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC(=O)C2=C3C(=CC=C2)CN(C3=O)CC4=CC=CS4

Isomeric SMILES

C1COCCN1CCCNC(=O)C2=C3C(=CC=C2)CN(C3=O)CC4=CC=CS4

InChI

InChI=1S/C21H25N3O3S/c25-20(22-7-3-8-23-9-11-27-12-10-23)18-6-1-4-16-14-24(21(26)19(16)18)15-17-5-2-13-28-17/h1-2,4-6,13H,3,7-12,14-15H2,(H,22,25)