5-chloranyl-N-[2-[[3-(methylaminomethyl)phenyl]methyl]-1-oxidanylidene-3H-isoindol-4-yl]thiophene-2-carboxamide

Systemtic Name: 5-chloranyl-N-[2-[[3-(methylaminomethyl)phenyl]methyl]-1-oxidanylidene-3H-isoindol-4-yl]thiophene-2-carboxamide Openeye Name: 5-chloro-N-[2-[[3-(methylaminomethyl)phenyl]methyl]-1-oxo-isoindolin-4-yl]thiophene-2-carboxamide CAS Name: 5-chloro-N-[2-[[3-(methylaminomethyl)phenyl]methyl]-1-oxo-3H-isoindol-4-yl]-2-thiophenecarboxamide IUPAC Name: 5-chloro-N-[2-[[3-(methylaminomethyl)phenyl]methyl]-1-oxo-3H-isoindol-4-yl]thiophene-2-carboxamide Traditional Name: 5-chloro-N-[1-keto-2-[3-(methylaminomethyl)benzyl]isoindolin-4-yl]thiophene-2-carboxamide Formula: C22H20ClN3O2S MolecularWeight: 425.9311

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=CC=CC(=C1)CN2CC3=C(C2=O)C=CC=C3NC(=O)C4=CC=C(S4)Cl

Isomeric SMILES

CNCC1=CC=CC(=C1)CN2CC3=C(C2=O)C=CC=C3NC(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C22H20ClN3O2S/c1-24-11-14-4-2-5-15(10-14)12-26-13-17-16(22(26)28)6-3-7-18(17)25-21(27)19-8-9-20(23)29-19/h2-10,24H,11-13H2,1H3,(H,25,27)