N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxamide Openeye Name: 2-allyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1,3-dioxo-2-prop-2-enyl-5-isoindolecarboxamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide Traditional Name: 2-allyl-N-(4,6-dimethyl-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:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC=C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC=C)C

InChI

InChI=1S/C21H17N3O3S/c1-4-7-24-19(26)14-6-5-13(10-15(14)20(24)27)18(25)23-21-22-17-12(3)8-11(2)9-16(17)28-21/h4-6,8-10H,1,7H2,2-3H3,(H,22,23,25)