N-(3-chloranyl-4-fluoranyl-phenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-ethanamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-ethanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-acetamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[[3-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]thio]-2-phenylacetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenylacetamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[[3-[(2-methoxyphenyl)thiocarbamoylamino]phenyl]thio]-2-phenyl-acetamide Formula: C28H23ClFN3O2S2 MolecularWeight: 552.082523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

COC1=CC=CC=C1NC(=S)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C28H23ClFN3O2S2/c1-35-25-13-6-5-12-24(25)33-28(36)32-19-10-7-11-21(16-19)37-26(18-8-3-2-4-9-18)27(34)31-20-14-15-23(30)22(29)17-20/h2-17,26H,1H3,(H,31,34)(H2,32,33,36)