tert-butyl 1-[2-(4-carbamothioylphenyl)imidazo[1,2-a]pyridin-7-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: tert-butyl 1-[2-(4-carbamothioylphenyl)imidazo[1,2-a]pyridin-7-yl]carbonylpiperidine-4-carboxylate Openeye Name: tert-butyl 1-[2-(4-carbamothioylphenyl)imidazo[1,2-a]pyridine-7-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[2-(4-carbamothioylphenyl)-7-imidazo[1,2-a]pyridinyl]-oxomethyl]-4-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[2-(4-carbamothioylphenyl)imidazo[1,2-a]pyridine-7-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[2-(4-thiocarbamoylphenyl)imidazo[1,2-a]pyridine-7-carbonyl]isonipecotic acid tert-butyl ester Formula: C25H28N4O3S MolecularWeight: 464.57982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCN(CC1)C(=O)C2=CC3=NC(=CN3C=C2)C4=CC=C(C=C4)C(=S)N

Isomeric SMILES

CC(C)(C)OC(=O)C1CCN(CC1)C(=O)C2=CC3=NC(=CN3C=C2)C4=CC=C(C=C4)C(=S)N

InChI

InChI=1S/C25H28N4O3S/c1-25(2,3)32-24(31)18-8-11-28(12-9-18)23(30)19-10-13-29-15-20(27-21(29)14-19)16-4-6-17(7-5-16)22(26)33/h4-7,10,13-15,18H,8-9,11-12H2,1-3H3,(H2,26,33)