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

Systemtic Name: N-[4-[(3-chloranyl-4-methyl-phenyl)carbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[(3-chloro-4-methyl-phenyl)carbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[(3-chloro-4-methylanilino)-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[(3-chloro-4-methylphenyl)carbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[4-[(3-chloro-4-methyl-phenyl)thiocarbamoylamino]phenyl]-2-fluoro-benzamide Formula: C21H17ClFN3OS MolecularWeight: 413.895583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClFN3OS/c1-13-6-7-16(12-18(13)22)26-21(28)25-15-10-8-14(9-11-15)24-20(27)17-4-2-3-5-19(17)23/h2-12H,1H3,(H,24,27)(H2,25,26,28)