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

Systemtic Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxamide Openeye Name: 2-allyl-N-(6-ethyl-1,3-benzothiazol-2-yl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-1,3-dioxo-2-prop-2-enyl-5-isoindolecarboxamide IUPAC Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide Traditional Name: 2-allyl-N-(6-ethyl-1,3-benzothiazol-2-yl)-1,3-diketo-isoindoline-5-carboxamide Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC=C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC=C

InChI

InChI=1S/C21H17N3O3S/c1-3-9-24-19(26)14-7-6-13(11-15(14)20(24)27)18(25)23-21-22-16-8-5-12(4-2)10-17(16)28-21/h3,5-8,10-11H,1,4,9H2,2H3,(H,22,23,25)