N-(3-ethylphenyl)-4-(4-fluorophenyl)sulfonyl-piperazine-1-carbothioamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

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