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

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxamide Openeye Name: 2-allyl-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-1,3-dioxo-2-prop-2-enyl-5-isoindolecarboxamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide Traditional Name: 2-allyl-N-[2-[(2-cyanobenzyl)thio]ethyl]-1,3-diketo-isoindoline-5-carboxamide Formula: C22H19N3O3S MolecularWeight: 405.46956

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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=C3C#N

Isomeric SMILES

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C22H19N3O3S/c1-2-10-25-21(27)18-8-7-15(12-19(18)22(25)28)20(26)24-9-11-29-14-17-6-4-3-5-16(17)13-23/h2-8,12H,1,9-11,14H2,(H,24,26)