N-[(4-fluorophenyl)methyl]-4-(phenylmethyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-4-(phenylmethyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: 4-benzylsulfonyl-N-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide CAS Name: N-[(4-fluorophenyl)methyl]-4-(phenylmethyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: 4-benzylsulfonyl-N-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-benzylsulfonyl-N-(4-fluorobenzyl)piperazine-1-carbothioamide Formula: C19H22FN3O2S2 MolecularWeight: 407.525283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NCC2=CC=C(C=C2)F)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=S)NCC2=CC=C(C=C2)F)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H22FN3O2S2/c20-18-8-6-16(7-9-18)14-21-19(26)22-10-12-23(13-11-22)27(24,25)15-17-4-2-1-3-5-17/h1-9H,10-15H2,(H,21,26)