2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(4,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)ethanamide

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(4,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)ethanamide Openeye Name: N-(4,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(1,3-dioxoisoindolin-2-yl)acetamide CAS Name: N-(4,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(4,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-(4,6-dimethyl-3-propargyl-1,3-benzothiazol-2-ylidene)-2-phthalimido-acetamide Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=NC(=O)CN3C(=O)C4=CC=CC=C4C3=O)N2CC#C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=NC(=O)CN3C(=O)C4=CC=CC=C4C3=O)N2CC#C)C

InChI

InChI=1S/C22H17N3O3S/c1-4-9-24-19-14(3)10-13(2)11-17(19)29-22(24)23-18(26)12-25-20(27)15-7-5-6-8-16(15)21(25)28/h1,5-8,10-11H,9,12H2,2-3H3