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

Systemtic Name: 2-[[10-[(4-methoxyphenyl)-phenylazanyl-methyl]-3-oxidanyl-phenothiazin-2-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[10-[anilino-(4-methoxyphenyl)methyl]-3-hydroxy-phenothiazin-2-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[10-[anilino-(4-methoxyphenyl)methyl]-3-hydroxy-2-phenothiazinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[10-[anilino-(4-methoxyphenyl)methyl]-3-hydroxyphenothiazin-2-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[10-[anilino-(4-methoxyphenyl)methyl]-3-hydroxy-phenothiazin-2-yl]methyl]isoindoline-1,3-quinone Formula: C35H27N3O4S MolecularWeight: 585.67158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(NC2=CC=CC=C2)N3C4=CC=CC=C4SC5=C3C=C(C(=C5)O)CN6C(=O)C7=CC=CC=C7C6=O

Isomeric SMILES

COC1=CC=C(C=C1)C(NC2=CC=CC=C2)N3C4=CC=CC=C4SC5=C3C=C(C(=C5)O)CN6C(=O)C7=CC=CC=C7C6=O

InChI

InChI=1S/C35H27N3O4S/c1-42-25-17-15-22(16-18-25)33(36-24-9-3-2-4-10-24)38-28-13-7-8-14-31(28)43-32-20-30(39)23(19-29(32)38)21-37-34(40)26-11-5-6-12-27(26)35(37)41/h2-20,33,36,39H,21H2,1H3