N-(phenylmethyl)-4-[2,3,4-tris(fluoranyl)phenyl]sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(phenylmethyl)-4-[2,3,4-tris(fluoranyl)phenyl]sulfonyl-piperazine-1-carbothioamide Openeye Name: N-benzyl-4-(2,3,4-trifluorophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(phenylmethyl)-4-(2,3,4-trifluorophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-(2,3,4-trifluorophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-benzyl-4-(2,3,4-trifluorophenyl)sulfonyl-piperazine-1-carbothioamide Formula: C18H18F3N3O2S2 MolecularWeight: 429.47963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NCC2=CC=CC=C2)S(=O)(=O)C3=C(C(=C(C=C3)F)F)F

Isomeric SMILES

C1CN(CCN1C(=S)NCC2=CC=CC=C2)S(=O)(=O)C3=C(C(=C(C=C3)F)F)F

InChI

InChI=1S/C18H18F3N3O2S2/c19-14-6-7-15(17(21)16(14)20)28(25,26)24-10-8-23(9-11-24)18(27)22-12-13-4-2-1-3-5-13/h1-7H,8-12H2,(H,22,27)