N-[2,4-bis(fluoranyl)phenyl]-4-(4-ethoxyphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-4-(4-ethoxyphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2,4-difluorophenyl)-4-(4-ethoxyphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(2,4-difluorophenyl)-4-(4-ethoxyphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(2,4-difluorophenyl)-4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(2,4-difluorophenyl)-4-p-phenetylsulfonyl-piperazine-1-carbothioamide Formula: C19H21F2N3O3S2 MolecularWeight: 441.515146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C=C(C=C3)F)F

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C=C(C=C3)F)F

InChI

InChI=1S/C19H21F2N3O3S2/c1-2-27-15-4-6-16(7-5-15)29(25,26)24-11-9-23(10-12-24)19(28)22-18-8-3-14(20)13-17(18)21/h3-8,13H,2,9-12H2,1H3,(H,22,28)