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

Systemtic Name: 2-(2-phenacylsulfanyl-1,3-benzothiazol-6-yl)benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(2-phenacylsulfanyl-1,3-benzothiazol-6-yl)benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-(phenacylthio)-1,3-benzothiazol-6-yl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(2-phenacylsulfanyl-1,3-benzothiazol-6-yl)benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-(phenacylthio)-1,3-benzothiazol-6-yl]benzo[de]isoquinoline-1,3-quinone Formula: C27H16N2O3S2 MolecularWeight: 480.55754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O

InChI

InChI=1S/C27H16N2O3S2/c30-22(16-6-2-1-3-7-16)15-33-27-28-21-13-12-18(14-23(21)34-27)29-25(31)19-10-4-8-17-9-5-11-20(24(17)19)26(29)32/h1-14H,15H2