1,3-bis(oxidanylidene)-N-[2-(phenylmethylsulfanyl)ethyl]-2-prop-2-enyl-isoindole-5-carboxamide

Systemtic Name: 1,3-bis(oxidanylidene)-N-[2-(phenylmethylsulfanyl)ethyl]-2-prop-2-enyl-isoindole-5-carboxamide Openeye Name: 2-allyl-N-(2-benzylsulfanylethyl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 1,3-dioxo-N-[2-(phenylmethylthio)ethyl]-2-prop-2-enyl-5-isoindolecarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide Traditional Name: 2-allyl-N-[2-(benzylthio)ethyl]-1,3-diketo-isoindoline-5-carboxamide Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O3S/c1-2-11-23-20(25)17-9-8-16(13-18(17)21(23)26)19(24)22-10-12-27-14-15-6-4-3-5-7-15/h2-9,13H,1,10-12,14H2,(H,22,24)