N-[4-[[4-(1-azidoethyl)-3-chloranyl-phenyl]carbamothioylamino]phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[[4-(1-azidoethyl)-3-chloranyl-phenyl]carbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[[4-(1-azidoethyl)-3-chloro-phenyl]carbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[[4-(1-azidoethyl)-3-chloroanilino]-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[[4-(1-azidoethyl)-3-chlorophenyl]carbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[4-[[4-(1-azidoethyl)-3-chloro-phenyl]thiocarbamoylamino]phenyl]-2-fluoro-benzamide Formula: C22H18ClFN6OS MolecularWeight: 468.934323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)Cl)N=[N+]=[N-]

Isomeric SMILES

CC(C1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)Cl)N=[N+]=[N-]

InChI

InChI=1S/C22H18ClFN6OS/c1-13(29-30-25)17-11-10-16(12-19(17)23)28-22(32)27-15-8-6-14(7-9-15)26-21(31)18-4-2-3-5-20(18)24/h2-13H,1H3,(H,26,31)(H2,27,28,32)