4-(4-ethanoylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-ethanoylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-(4-acetylphenyl)sulfonyl-N-(2-furylmethyl)piperazine-1-carbothioamide CAS Name: 4-(4-acetylphenyl)sulfonyl-N-(2-furanylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-acetylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-(4-acetylphenyl)sulfonyl-N-(2-furfuryl)piperazine-1-carbothioamide Formula: C18H21N3O4S2 MolecularWeight: 407.50704

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC3=CC=CO3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC3=CC=CO3

InChI

InChI=1S/C18H21N3O4S2/c1-14(22)15-4-6-17(7-5-15)27(23,24)21-10-8-20(9-11-21)18(26)19-13-16-3-2-12-25-16/h2-7,12H,8-11,13H2,1H3,(H,19,26)