tert-butyl 4-[[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[3-(2-thioxo-1H-imidazol-3-yl)phenyl]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[oxo-[3-(2-sulfanylidene-1H-imidazol-3-yl)anilino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[3-(2-thioxo-4-imidazolin-1-yl)phenyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC2=CC=CC(=C2)N3C=CNC3=S

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC2=CC=CC(=C2)N3C=CNC3=S

InChI

InChI=1S/C20H26N4O3S/c1-20(2,3)27-19(26)23-10-7-14(8-11-23)17(25)22-15-5-4-6-16(13-15)24-12-9-21-18(24)28/h4-6,9,12-14H,7-8,10-11H2,1-3H3,(H,21,28)(H,22,25)