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

Systemtic Name: 4-(4-fluorophenyl)sulfonyl-N-phenethyl-piperazine-1-carbothioamide Openeye Name: 4-(4-fluorophenyl)sulfonyl-N-phenethyl-piperazine-1-carbothioamide CAS Name: 4-(4-fluorophenyl)sulfonyl-N-phenethyl-1-piperazinecarbothioamide IUPAC Name: 4-(4-fluorophenyl)sulfonyl-N-phenethylpiperazine-1-carbothioamide Traditional Name: 4-(4-fluorophenyl)sulfonyl-N-phenethyl-piperazine-1-carbothioamide Formula: C19H22FN3O2S2 MolecularWeight: 407.525283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NCCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCN1C(=S)NCCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

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