N1,N9-bis[4-(4-hydroxyphenyl)piperazin-1-yl]-10,10-bis(oxidanylidene)phenoxathiine-1,9-dicarboxamide

Systemtic Name: N1,N9-bis[4-(4-hydroxyphenyl)piperazin-1-yl]-10,10-bis(oxidanylidene)phenoxathiine-1,9-dicarboxamide Openeye Name: N1,N9-bis[4-(4-hydroxyphenyl)piperazin-1-yl]-10,10-dioxo-phenoxathiine-1,9-dicarboxamide CAS Name: N1,N9-bis[4-(4-hydroxyphenyl)-1-piperazinyl]-10,10-dioxophenoxathiine-1,9-dicarboxamide IUPAC Name: 1-N,9-N-bis[4-(4-hydroxyphenyl)piperazin-1-yl]-10,10-dioxophenoxathiine-1,9-dicarboxamide Traditional Name: N,N'-bis[4-(4-hydroxyphenyl)piperazino]-10,10-diketo-phenoxathiine-1,9-dicarboxamide Formula: C34H34N6O7S MolecularWeight: 670.73476

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)O)NC(=O)C3=C4C(=CC=C3)OC5=CC=CC(=C5S4(=O)=O)C(=O)NN6CCN(CC6)C7=CC=C(C=C7)O

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)O)NC(=O)C3=C4C(=CC=C3)OC5=CC=CC(=C5S4(=O)=O)C(=O)NN6CCN(CC6)C7=CC=C(C=C7)O

InChI

InChI=1S/C34H34N6O7S/c41-25-11-7-23(8-12-25)37-15-19-39(20-16-37)35-33(43)27-3-1-5-29-31(27)48(45,46)32-28(4-2-6-30(32)47-29)34(44)36-40-21-17-38(18-22-40)24-9-13-26(42)14-10-24/h1-14,41-42H,15-22H2,(H,35,43)(H,36,44)