N-(3-fluoranyl-4-methyl-phenyl)-4-(phenylmethyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-4-(phenylmethyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: 4-benzylsulfonyl-N-(3-fluoro-4-methyl-phenyl)piperazine-1-carbothioamide CAS Name: N-(3-fluoro-4-methylphenyl)-4-(phenylmethyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: 4-benzylsulfonyl-N-(3-fluoro-4-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-benzylsulfonyl-N-(3-fluoro-4-methyl-phenyl)piperazine-1-carbothioamide Formula: C19H22FN3O2S2 MolecularWeight: 407.525283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)F

InChI

InChI=1S/C19H22FN3O2S2/c1-15-7-8-17(13-18(15)20)21-19(26)22-9-11-23(12-10-22)27(24,25)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,21,26)