N-(3,5-dimethylphenyl)-4-(2-fluorophenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(3,5-dimethylphenyl)-4-(2-fluorophenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(3,5-dimethylphenyl)-4-(2-fluorophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(3,5-dimethylphenyl)-4-(2-fluorophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3,5-dimethylphenyl)-4-(2-fluorophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(3,5-dimethylphenyl)-4-(2-fluorophenyl)sulfonyl-piperazine-1-carbothioamide Formula: C19H22FN3O2S2 MolecularWeight: 407.525283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F)C

InChI

InChI=1S/C19H22FN3O2S2/c1-14-11-15(2)13-16(12-14)21-19(26)22-7-9-23(10-8-22)27(24,25)18-6-4-3-5-17(18)20/h3-6,11-13H,7-10H2,1-2H3,(H,21,26)