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

Systemtic Name: 1-[[(E)-1-[5-(4-tert-butylphenyl)-4-oxidanyl-thiophen-3-yl]ethylideneamino]carbamothioyl]piperidine-4-carboxylic acid Openeye Name: 1-[[(E)-1-[5-(4-tert-butylphenyl)-4-hydroxy-3-thienyl]ethylideneamino]carbamothioyl]piperidine-4-carboxylic acid CAS Name: 1-[[(2E)-2-[1-[5-(4-tert-butylphenyl)-4-hydroxy-3-thiophenyl]ethylidene]hydrazinyl]-sulfanylidenemethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[(E)-1-[5-(4-tert-butylphenyl)-4-hydroxythiophen-3-yl]ethylideneamino]carbamothioyl]piperidine-4-carboxylic acid Traditional Name: 1-[[(E)-1-[5-(4-tert-butylphenyl)-4-hydroxy-3-thienyl]ethylideneamino]thiocarbamoyl]isonipecotic acid Formula: C23H29N3O3S2 MolecularWeight: 459.62466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3S2/c1-14(24-25-22(30)26-11-9-16(10-12-26)21(28)29)18-13-31-20(19(18)27)15-5-7-17(8-6-15)23(2,3)4/h5-8,13,16,27H,9-12H2,1-4H3,(H,25,30)(H,28,29)/b24-14+