N-[2-(4-chlorophenyl)sulfanylethyl]-1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylethyl]-1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxamide Openeye Name: 2-allyl-N-[2-(4-chlorophenyl)sulfanylethyl]-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-[2-[(4-chlorophenyl)thio]ethyl]-1,3-dioxo-2-prop-2-enyl-5-isoindolecarboxamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylethyl]-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide Traditional Name: 2-allyl-N-[2-[(4-chlorophenyl)thio]ethyl]-1,3-diketo-isoindoline-5-carboxamide Formula: C20H17ClN2O3S MolecularWeight: 400.87858

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H17ClN2O3S/c1-2-10-23-19(25)16-8-3-13(12-17(16)20(23)26)18(24)22-9-11-27-15-6-4-14(21)5-7-15/h2-8,12H,1,9-11H2,(H,22,24)