N,N-bis[4-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]-2-methyl-phenyl]-2-fluoranyl-benzamide

Systemtic Name: N,N-bis[4-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]-2-methyl-phenyl]-2-fluoranyl-benzamide Openeye Name: N,N-bis[4-[(5-chloro-2,4-dimethoxy-phenyl)carbamothioylamino]-2-methyl-phenyl]-2-fluoro-benzamide CAS Name: N,N-bis[4-[[(5-chloro-2,4-dimethoxyanilino)-sulfanylidenemethyl]amino]-2-methylphenyl]-2-fluorobenzamide IUPAC Name: N,N-bis[4-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]-2-methylphenyl]-2-fluorobenzamide Traditional Name: N,N-bis[4-[(5-chloro-2,4-dimethoxy-phenyl)thiocarbamoylamino]-2-methyl-phenyl]-2-fluoro-benzamide Formula: C39H36Cl2FN5O5S2 MolecularWeight: 808.768043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC2=CC(=C(C=C2OC)OC)Cl)N(C3=C(C=C(C=C3)NC(=S)NC4=CC(=C(C=C4OC)OC)Cl)C)C(=O)C5=CC=CC=C5F

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC2=CC(=C(C=C2OC)OC)Cl)N(C3=C(C=C(C=C3)NC(=S)NC4=CC(=C(C=C4OC)OC)Cl)C)C(=O)C5=CC=CC=C5F

InChI

InChI=1S/C39H36Cl2FN5O5S2/c1-21-15-23(43-38(53)45-29-17-26(40)33(49-3)19-35(29)51-5)11-13-31(21)47(37(48)25-9-7-8-10-28(25)42)32-14-12-24(16-22(32)2)44-39(54)46-30-18-27(41)34(50-4)20-36(30)52-6/h7-20H,1-6H3,(H2,43,45,53)(H2,44,46,54)