2-[[3-oxidanyl-10-[phenylazanyl-(4-phenylphenyl)methyl]phenothiazin-2-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[3-oxidanyl-10-[phenylazanyl-(4-phenylphenyl)methyl]phenothiazin-2-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[10-[anilino-(4-phenylphenyl)methyl]-3-hydroxy-phenothiazin-2-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[10-[anilino-(4-phenylphenyl)methyl]-3-hydroxy-2-phenothiazinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[10-[anilino-(4-phenylphenyl)methyl]-3-hydroxyphenothiazin-2-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[10-[anilino-(4-phenylphenyl)methyl]-3-hydroxy-phenothiazin-2-yl]methyl]isoindoline-1,3-quinone Formula: C40H29N3O3S MolecularWeight: 631.74156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(NC3=CC=CC=C3)N4C5=CC=CC=C5SC6=C4C=C(C(=C6)O)CN7C(=O)C8=CC=CC=C8C7=O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(NC3=CC=CC=C3)N4C5=CC=CC=C5SC6=C4C=C(C(=C6)O)CN7C(=O)C8=CC=CC=C8C7=O

InChI

InChI=1S/C40H29N3O3S/c44-35-24-37-34(23-29(35)25-42-39(45)31-15-7-8-16-32(31)40(42)46)43(33-17-9-10-18-36(33)47-37)38(41-30-13-5-2-6-14-30)28-21-19-27(20-22-28)26-11-3-1-4-12-26/h1-24,38,41,44H,25H2