1-(4-methoxyphenyl)sulfonyl-N-oxidanyl-4-[(phenylmethyl)carbamothioyl]piperazine-2-carboxamide

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-N-oxidanyl-4-[(phenylmethyl)carbamothioyl]piperazine-2-carboxamide Openeye Name: N-benzyl-3-(hydroxycarbamoyl)-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[[(phenylmethyl)amino]-sulfanylidenemethyl]-2-piperazinecarboxamide IUPAC Name: 4-(benzylcarbamothioyl)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide Traditional Name: N-benzyl-3-(hydroxycarbamoyl)-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C20H24N4O5S2 MolecularWeight: 464.55836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)NO)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)NO)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C20H24N4O5S2/c1-29-16-7-9-17(10-8-16)31(27,28)24-12-11-23(14-18(24)19(25)22-26)20(30)21-13-15-5-3-2-4-6-15/h2-10,18,26H,11-14H2,1H3,(H,21,30)(H,22,25)