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

Systemtic Name: 3-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-3-[(3-chloro-4-fluoro-phenyl)carbamothioylamino]benzamide CAS Name: 3-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-3-[(3-chloro-4-fluorophenyl)carbamothioylamino]benzamide Traditional Name: N-benzyl-3-[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]benzamide Formula: C21H17ClFN3OS MolecularWeight: 413.895583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)NC(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)NC(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H17ClFN3OS/c22-18-12-17(9-10-19(18)23)26-21(28)25-16-8-4-7-15(11-16)20(27)24-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,24,27)(H2,25,26,28)