4-(4-fluorophenyl)sulfonyl-N-[(1S,2S)-2-methylcyclohexyl]piperazine-1-carbothioamide

Systemtic Name: 4-(4-fluorophenyl)sulfonyl-N-[(1S,2S)-2-methylcyclohexyl]piperazine-1-carbothioamide Openeye Name: 4-(4-fluorophenyl)sulfonyl-N-[(1S,2S)-2-methylcyclohexyl]piperazine-1-carbothioamide CAS Name: 4-(4-fluorophenyl)sulfonyl-N-[(1S,2S)-2-methylcyclohexyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-fluorophenyl)sulfonyl-N-[(1S,2S)-2-methylcyclohexyl]piperazine-1-carbothioamide Traditional Name: 4-(4-fluorophenyl)sulfonyl-N-[(1S,2S)-2-methylcyclohexyl]piperazine-1-carbothioamide Formula: C18H26FN3O2S2 MolecularWeight: 399.546343

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H26FN3O2S2/c1-14-4-2-3-5-17(14)20-18(25)21-10-12-22(13-11-21)26(23,24)16-8-6-15(19)7-9-16/h6-9,14,17H,2-5,10-13H2,1H3,(H,20,25)/t14-,17-/m0/s1