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

Systemtic Name: 4-chloranyl-N-[4-[[4-(6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)piperazin-1-yl]carbothioylamino]phenyl]sulfonyl-benzamide Openeye Name: 4-chloro-N-[4-[[4-(6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)piperazine-1-carbothioyl]amino]phenyl]sulfonyl-benzamide CAS Name: 4-chloro-N-[4-[[[4-(6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)-1-piperazinyl]-sulfanylidenemethyl]amino]phenyl]sulfonylbenzamide IUPAC Name: 4-chloro-N-[4-[[4-(6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)piperazine-1-carbothioyl]amino]phenyl]sulfonylbenzamide Traditional Name: 4-chloro-N-[4-[[4-(6,7-dimethoxy-9H-pyrimid[4,5-b]indol-4-yl)piperazine-1-carbothioyl]amino]phenyl]sulfonyl-benzamide Formula: C30H28ClN7O5S2 MolecularWeight: 666.17022

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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)Cl)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)Cl)OC

InChI

InChI=1S/C30H28ClN7O5S2/c1-42-24-15-22-23(16-25(24)43-2)35-27-26(22)28(33-17-32-27)37-11-13-38(14-12-37)30(44)34-20-7-9-21(10-8-20)45(40,41)36-29(39)18-3-5-19(31)6-4-18/h3-10,15-17H,11-14H2,1-2H3,(H,34,44)(H,36,39)(H,32,33,35)