6-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzo[d][2]benzazepine-5,7-dione

Systemtic Name: 6-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzo[d][2]benzazepine-5,7-dione Openeye Name: 6-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzo[d][2]benzazepine-5,7-dione CAS Name: 6-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzo[d][2]benzazepine-5,7-dione IUPAC Name: 6-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzo[d][2]benzazepine-5,7-dione Traditional Name: 6-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzo[d][2]benzazepine-5,7-quinone Formula: C28H18N2O2S MolecularWeight: 446.51972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C6=CC=CC=C6C4=O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C6=CC=CC=C6C4=O

InChI

InChI=1S/C28H18N2O2S/c1-17-10-15-24-25(16-17)33-26(29-24)18-11-13-19(14-12-18)30-27(31)22-8-4-2-6-20(22)21-7-3-5-9-23(21)28(30)32/h2-16H,1H3