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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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