N-(1,3-benzothiazol-2-yl)-2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-isopentyl-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-(3-methylbutyl)-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-isoamyl-1,3-diketo-isoindoline-5-carboxamide Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H19N3O3S/c1-12(2)9-10-24-19(26)14-8-7-13(11-15(14)20(24)27)18(25)23-21-22-16-5-3-4-6-17(16)28-21/h3-8,11-12H,9-10H2,1-2H3,(H,22,23,25)