1-[[(E)-1-[5-(4-bromophenyl)-4-oxidanyl-thiophen-3-yl]ethylideneamino]carbamothioyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[(E)-1-[5-(4-bromophenyl)-4-oxidanyl-thiophen-3-yl]ethylideneamino]carbamothioyl]piperidine-4-carboxylic acid Openeye Name: 1-[[(E)-1-[5-(4-bromophenyl)-4-hydroxy-3-thienyl]ethylideneamino]carbamothioyl]piperidine-4-carboxylic acid CAS Name: 1-[[(2E)-2-[1-[5-(4-bromophenyl)-4-hydroxy-3-thiophenyl]ethylidene]hydrazinyl]-sulfanylidenemethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[(E)-1-[5-(4-bromophenyl)-4-hydroxythiophen-3-yl]ethylideneamino]carbamothioyl]piperidine-4-carboxylic acid Traditional Name: 1-[[(E)-1-[5-(4-bromophenyl)-4-hydroxy-3-thienyl]ethylideneamino]thiocarbamoyl]isonipecotic acid Formula: C19H20BrN3O3S2 MolecularWeight: 482.4144

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)N1CCC(CC1)C(=O)O)C2=CSC(=C2O)C3=CC=C(C=C3)Br

Isomeric SMILES

C/C(=N\NC(=S)N1CCC(CC1)C(=O)O)/C2=CSC(=C2O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H20BrN3O3S2/c1-11(21-22-19(27)23-8-6-13(7-9-23)18(25)26)15-10-28-17(16(15)24)12-2-4-14(20)5-3-12/h2-5,10,13,24H,6-9H2,1H3,(H,22,27)(H,25,26)/b21-11+