N,N-bis[4-[(5-chloranyl-2,4-dimethoxy-phenyl)sulfanylcarbamoylamino]-3-methoxy-phenyl]-2-fluoranyl-benzamide

Systemtic Name: N,N-bis[4-[(5-chloranyl-2,4-dimethoxy-phenyl)sulfanylcarbamoylamino]-3-methoxy-phenyl]-2-fluoranyl-benzamide Openeye Name: N,N-bis[4-[(5-chloro-2,4-dimethoxy-phenyl)sulfanylcarbamoylamino]-3-methoxy-phenyl]-2-fluoro-benzamide CAS Name: N,N-bis[4-[[[[(5-chloro-2,4-dimethoxyphenyl)thio]amino]-oxomethyl]amino]-3-methoxyphenyl]-2-fluorobenzamide IUPAC Name: N,N-bis[4-[(5-chloro-2,4-dimethoxyphenyl)sulfanylcarbamoylamino]-3-methoxyphenyl]-2-fluorobenzamide Traditional Name: N,N-bis[4-[[(5-chloro-2,4-dimethoxy-phenyl)thio]carbamoylamino]-3-methoxy-phenyl]-2-fluoro-benzamide Formula: C39H36Cl2FN5O9S2 MolecularWeight: 872.765643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1SNC(=O)NC2=C(C=C(C=C2)N(C3=CC(=C(C=C3)NC(=O)NSC4=CC(=C(C=C4OC)OC)Cl)OC)C(=O)C5=CC=CC=C5F)OC)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1SNC(=O)NC2=C(C=C(C=C2)N(C3=CC(=C(C=C3)NC(=O)NSC4=CC(=C(C=C4OC)OC)Cl)OC)C(=O)C5=CC=CC=C5F)OC)Cl)OC

InChI

InChI=1S/C39H36Cl2FN5O9S2/c1-51-29-19-33(55-5)35(17-24(29)40)57-45-38(49)43-27-13-11-21(15-31(27)53-3)47(37(48)23-9-7-8-10-26(23)42)22-12-14-28(32(16-22)54-4)44-39(50)46-58-36-18-25(41)30(52-2)20-34(36)56-6/h7-20H,1-6H3,(H2,43,45,49)(H2,44,46,50)