4-(4-fluorophenyl)sulfonyl-N-(phenylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-fluorophenyl)sulfonyl-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzyl-4-(4-fluorophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: 4-(4-fluorophenyl)sulfonyl-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-(4-fluorophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-benzyl-4-(4-fluorophenyl)sulfonyl-piperazine-1-carbothioamide Formula: C18H20FN3O2S2 MolecularWeight: 393.498703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20FN3O2S2/c19-16-6-8-17(9-7-16)26(23,24)22-12-10-21(11-13-22)18(25)20-14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,20,25)