N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxamide

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxamide Openeye Name: 2-allyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-1,3-dioxo-2-prop-2-enyl-5-isoindolecarboxamide IUPAC Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide Traditional Name: 2-allyl-1,3-diketo-N-[2-(methylthio)-1,3-benzothiazol-6-yl]isoindoline-5-carboxamide Formula: C20H15N3O3S2 MolecularWeight: 409.4814

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC=C

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC=C

InChI

InChI=1S/C20H15N3O3S2/c1-3-8-23-18(25)13-6-4-11(9-14(13)19(23)26)17(24)21-12-5-7-15-16(10-12)28-20(22-15)27-2/h3-7,9-10H,1,8H2,2H3,(H,21,24)