2-butyl-1,3-bis(oxidanylidene)-N-(2-phenylsulfanylethyl)isoindole-5-carboxamide

Systemtic Name: 2-butyl-1,3-bis(oxidanylidene)-N-(2-phenylsulfanylethyl)isoindole-5-carboxamide Openeye Name: 2-butyl-1,3-dioxo-N-(2-phenylsulfanylethyl)isoindoline-5-carboxamide CAS Name: 2-butyl-1,3-dioxo-N-[2-(phenylthio)ethyl]-5-isoindolecarboxamide IUPAC Name: 2-butyl-1,3-dioxo-N-(2-phenylsulfanylethyl)isoindole-5-carboxamide Traditional Name: 2-butyl-1,3-diketo-N-[2-(phenylthio)ethyl]isoindoline-5-carboxamide Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3S/c1-2-3-12-23-20(25)17-10-9-15(14-18(17)21(23)26)19(24)22-11-13-27-16-7-5-4-6-8-16/h4-10,14H,2-3,11-13H2,1H3,(H,22,24)