N-[(4-fluorophenyl)methyl]-4-thiophen-2-ylsulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-4-thiophen-2-ylsulfonyl-piperazine-1-carbothioamide Openeye Name: N-[(4-fluorophenyl)methyl]-4-(2-thienylsulfonyl)piperazine-1-carbothioamide CAS Name: N-[(4-fluorophenyl)methyl]-4-thiophen-2-ylsulfonyl-1-piperazinecarbothioamide IUPAC Name: N-[(4-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazine-1-carbothioamide Traditional Name: N-(4-fluorobenzyl)-4-(2-thienylsulfonyl)piperazine-1-carbothioamide Formula: C16H18FN3O2S3 MolecularWeight: 399.526423

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NCC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1C(=S)NCC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H18FN3O2S3/c17-14-5-3-13(4-6-14)12-18-16(23)19-7-9-20(10-8-19)25(21,22)15-2-1-11-24-15/h1-6,11H,7-10,12H2,(H,18,23)