N-[4-[(3,4-dichlorophenyl)methylcarbamothioylamino]phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[(3,4-dichlorophenyl)methylcarbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[(3,4-dichlorophenyl)methylcarbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[[(3,4-dichlorophenyl)methylamino]-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[(3,4-dichlorophenyl)methylcarbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[4-[(3,4-dichlorobenzyl)thiocarbamoylamino]phenyl]-2-fluoro-benzamide Formula: C21H16Cl2FN3OS MolecularWeight: 448.340643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NCC3=CC(=C(C=C3)Cl)Cl)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NCC3=CC(=C(C=C3)Cl)Cl)F

InChI

InChI=1S/C21H16Cl2FN3OS/c22-17-10-5-13(11-18(17)23)12-25-21(29)27-15-8-6-14(7-9-15)26-20(28)16-3-1-2-4-19(16)24/h1-11H,12H2,(H,26,28)(H2,25,27,29)