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

Systemtic Name: N-[4-[(3-cyanophenyl)carbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[(3-cyanophenyl)carbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[(3-cyanoanilino)-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[(3-cyanophenyl)carbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[4-[(3-cyanophenyl)thiocarbamoylamino]phenyl]-2-fluoro-benzamide Formula: C21H15FN4OS MolecularWeight: 390.433403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC=CC(=C3)C#N)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC=CC(=C3)C#N)F

InChI

InChI=1S/C21H15FN4OS/c22-19-7-2-1-6-18(19)20(27)24-15-8-10-16(11-9-15)25-21(28)26-17-5-3-4-14(12-17)13-23/h1-12H,(H,24,27)(H2,25,26,28)