2-(2-propan-2-ylsulfanyl-1,3-benzothiazol-6-yl)isoindole-1,3-dione

Systemtic Name: 2-(2-propan-2-ylsulfanyl-1,3-benzothiazol-6-yl)isoindole-1,3-dione Openeye Name: 2-(2-isopropylsulfanyl-1,3-benzothiazol-6-yl)isoindoline-1,3-dione CAS Name: 2-[2-(propan-2-ylthio)-1,3-benzothiazol-6-yl]isoindole-1,3-dione IUPAC Name: 2-(2-propan-2-ylsulfanyl-1,3-benzothiazol-6-yl)isoindole-1,3-dione Traditional Name: 2-[2-(isopropylthio)-1,3-benzothiazol-6-yl]isoindoline-1,3-quinone Formula: C18H14N2O2S2 MolecularWeight: 354.44596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=C(S1)C=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)SC1=NC2=C(S1)C=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C18H14N2O2S2/c1-10(2)23-18-19-14-8-7-11(9-15(14)24-18)20-16(21)12-5-3-4-6-13(12)17(20)22/h3-10H,1-2H3