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

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]-N-(4-methoxyphenyl)benzamide Openeye Name: 4-[(3-chloro-4-fluoro-phenyl)carbamothioylamino]-N-(4-methoxyphenyl)benzamide CAS Name: 4-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]-N-(4-methoxyphenyl)benzamide IUPAC Name: 4-[(3-chloro-4-fluorophenyl)carbamothioylamino]-N-(4-methoxyphenyl)benzamide Traditional Name: 4-[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]-N-(4-methoxyphenyl)benzamide Formula: C21H17ClFN3O2S MolecularWeight: 429.894983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H17ClFN3O2S/c1-28-17-9-6-14(7-10-17)24-20(27)13-2-4-15(5-3-13)25-21(29)26-16-8-11-19(23)18(22)12-16/h2-12H,1H3,(H,24,27)(H2,25,26,29)