2-(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(2-allylsulfanyl-1,3-benzothiazol-6-yl)benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-(prop-2-enylthio)-1,3-benzothiazol-6-yl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-(allylthio)-1,3-benzothiazol-6-yl]benzo[de]isoquinoline-1,3-quinone Formula: C22H14N2O2S2 MolecularWeight: 402.48876

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC2=C(S1)C=C(C=C2)N3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

Isomeric SMILES

C=CCSC1=NC2=C(S1)C=C(C=C2)N3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

InChI

InChI=1S/C22H14N2O2S2/c1-2-11-27-22-23-17-10-9-14(12-18(17)28-22)24-20(25)15-7-3-5-13-6-4-8-16(19(13)15)21(24)26/h2-10,12H,1,11H2