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

Systemtic Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxamide Openeye Name: 2-allyl-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-[2-[(4-chlorophenyl)methylthio]ethyl]-1,3-dioxo-2-prop-2-enyl-5-isoindolecarboxamide IUPAC Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide Traditional Name: 2-allyl-N-[2-[(4-chlorobenzyl)thio]ethyl]-1,3-diketo-isoindoline-5-carboxamide Formula: C21H19ClN2O3S MolecularWeight: 414.90516

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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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O3S/c1-2-10-24-20(26)17-8-5-15(12-18(17)21(24)27)19(25)23-9-11-28-13-14-3-6-16(22)7-4-14/h2-8,12H,1,9-11,13H2,(H,23,25)