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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)F)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)F)Cl

InChI

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