(3-chloranyl-4-fluoranyl-phenyl)methyl N,N'-diphenylcarbamimidothioate

Systemtic Name: (3-chloranyl-4-fluoranyl-phenyl)methyl N,N'-diphenylcarbamimidothioate Openeye Name: 2-[(3-chloro-4-fluoro-phenyl)methyl]-1,3-diphenyl-isothiourea CAS Name: N,N'-diphenylcarbamimidothioic acid (3-chloro-4-fluorophenyl)methyl ester IUPAC Name: (3-chloro-4-fluorophenyl)methyl N,N'-diphenylcarbamimidothioate Traditional Name: 2-(3-chloro-4-fluoro-benzyl)-1,3-diphenyl-isothiourea Formula: C20H16ClFN2S MolecularWeight: 370.870843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)SCC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)SCC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C20H16ClFN2S/c21-18-13-15(11-12-19(18)22)14-25-20(23-16-7-3-1-4-8-16)24-17-9-5-2-6-10-17/h1-13H,14H2,(H,23,24)