2-[[6-[1,3-bis(oxidanylidene)isoindol-2-yl]-1,3-benzothiazol-2-yl]sulfanyl]-N-tert-butyl-ethanamide

Systemtic Name: 2-[[6-[1,3-bis(oxidanylidene)isoindol-2-yl]-1,3-benzothiazol-2-yl]sulfanyl]-N-tert-butyl-ethanamide Openeye Name: N-tert-butyl-2-[[6-(1,3-dioxoisoindolin-2-yl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide CAS Name: N-tert-butyl-2-[[6-(1,3-dioxo-2-isoindolyl)-1,3-benzothiazol-2-yl]thio]acetamide IUPAC Name: N-tert-butyl-2-[[6-(1,3-dioxoisoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide Traditional Name: N-tert-butyl-2-[(6-phthalimido-1,3-benzothiazol-2-yl)thio]acetamide Formula: C21H19N3O3S2 MolecularWeight: 425.52386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NC2=C(S1)C=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NC2=C(S1)C=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H19N3O3S2/c1-21(2,3)23-17(25)11-28-20-22-15-9-8-12(10-16(15)29-20)24-18(26)13-6-4-5-7-14(13)19(24)27/h4-10H,11H2,1-3H3,(H,23,25)