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

Systemtic Name: methyl 1-[[(E)-1-[5-(4-bromophenyl)-4-oxidanyl-thiophen-3-yl]ethylideneamino]carbamothioyl]piperidine-4-carboxylate Openeye Name: methyl 1-[[(E)-1-[5-(4-bromophenyl)-4-hydroxy-3-thienyl]ethylideneamino]carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[(2E)-2-[1-[5-(4-bromophenyl)-4-hydroxy-3-thiophenyl]ethylidene]hydrazinyl]-sulfanylidenemethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[[(E)-1-[5-(4-bromophenyl)-4-hydroxythiophen-3-yl]ethylideneamino]carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[[(E)-1-[5-(4-bromophenyl)-4-hydroxy-3-thienyl]ethylideneamino]thiocarbamoyl]isonipecotic acid methyl ester Formula: C20H22BrN3O3S2 MolecularWeight: 496.44098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O3S2/c1-12(16-11-29-18(17(16)25)13-3-5-15(21)6-4-13)22-23-20(28)24-9-7-14(8-10-24)19(26)27-2/h3-6,11,14,25H,7-10H2,1-2H3,(H,23,28)/b22-12+