ethyl 4-[[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]carbonylamino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]carbonylamino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[[1-(4-bromophenyl)sulfonylpiperidine-4-carbonyl]amino]carbamothioylamino]benzoate CAS Name: 4-[[[[[1-(4-bromophenyl)sulfonyl-4-piperidinyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[1-(4-bromophenyl)sulfonylpiperidine-4-carbonyl]amino]carbamothioylamino]benzoate Traditional Name: 4-[[(1-brosylisonipecotoyl)amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C22H25BrN4O5S2 MolecularWeight: 569.4917

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H25BrN4O5S2/c1-2-32-21(29)16-3-7-18(8-4-16)24-22(33)26-25-20(28)15-11-13-27(14-12-15)34(30,31)19-9-5-17(23)6-10-19/h3-10,15H,2,11-14H2,1H3,(H,25,28)(H2,24,26,33)