N-[4-[[4-(6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)piperazin-1-yl]carbothioylamino]phenyl]sulfonyl-4-(trifluoromethyloxy)benzamide

Systemtic Name: N-[4-[[4-(6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)piperazin-1-yl]carbothioylamino]phenyl]sulfonyl-4-(trifluoromethyloxy)benzamide Openeye Name: N-[4-[[4-(6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)piperazine-1-carbothioyl]amino]phenyl]sulfonyl-4-(trifluoromethoxy)benzamide CAS Name: N-[4-[[[4-(6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)-1-piperazinyl]-sulfanylidenemethyl]amino]phenyl]sulfonyl-4-(trifluoromethoxy)benzamide IUPAC Name: N-[4-[[4-(6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)piperazine-1-carbothioyl]amino]phenyl]sulfonyl-4-(trifluoromethoxy)benzamide Traditional Name: N-[4-[[4-(6,7-dimethoxy-9H-pyrimid[4,5-b]indol-4-yl)piperazine-1-carbothioyl]amino]phenyl]sulfonyl-4-(trifluoromethoxy)benzamide Formula: C31H28F3N7O6S2 MolecularWeight: 715.72253

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=C(N2)N=CN=C3N4CCN(CC4)C(=S)NC5=CC=C(C=C5)S(=O)(=O)NC(=O)C6=CC=C(C=C6)OC(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=C(N2)N=CN=C3N4CCN(CC4)C(=S)NC5=CC=C(C=C5)S(=O)(=O)NC(=O)C6=CC=C(C=C6)OC(F)(F)F)OC

InChI

InChI=1S/C31H28F3N7O6S2/c1-45-24-15-22-23(16-25(24)46-2)38-27-26(22)28(36-17-35-27)40-11-13-41(14-12-40)30(48)37-19-5-9-21(10-6-19)49(43,44)39-29(42)18-3-7-20(8-4-18)47-31(32,33)34/h3-10,15-17H,11-14H2,1-2H3,(H,37,48)(H,39,42)(H,35,36,38)