5-(1,3-benzothiazol-2-yl)-2-(3-methylbutyl)isoindole-1,3-dione

Systemtic Name: 5-(1,3-benzothiazol-2-yl)-2-(3-methylbutyl)isoindole-1,3-dione Openeye Name: 5-(1,3-benzothiazol-2-yl)-2-isopentyl-isoindoline-1,3-dione CAS Name: 5-(1,3-benzothiazol-2-yl)-2-(3-methylbutyl)isoindole-1,3-dione IUPAC Name: 5-(1,3-benzothiazol-2-yl)-2-(3-methylbutyl)isoindole-1,3-dione Traditional Name: 5-(1,3-benzothiazol-2-yl)-2-isoamyl-isoindoline-1,3-quinone Formula: C20H18N2O2S MolecularWeight: 350.43412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H18N2O2S/c1-12(2)9-10-22-19(23)14-8-7-13(11-15(14)20(22)24)18-21-16-5-3-4-6-17(16)25-18/h3-8,11-12H,9-10H2,1-2H3