N-[3-chloranyl-4-[(3-chloranyl-4-methyl-phenyl)carbamothioylamino]phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[3-chloranyl-4-[(3-chloranyl-4-methyl-phenyl)carbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[3-chloro-4-[(3-chloro-4-methyl-phenyl)carbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[3-chloro-4-[[(3-chloro-4-methylanilino)-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[3-chloro-4-[(3-chloro-4-methylphenyl)carbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[3-chloro-4-[(3-chloro-4-methyl-phenyl)thiocarbamoylamino]phenyl]-2-fluoro-benzamide Formula: C21H16Cl2FN3OS MolecularWeight: 448.340643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)Cl)Cl

InChI

InChI=1S/C21H16Cl2FN3OS/c1-12-6-7-14(10-16(12)22)26-21(29)27-19-9-8-13(11-17(19)23)25-20(28)15-4-2-3-5-18(15)24/h2-11H,1H3,(H,25,28)(H2,26,27,29)