tert-butyl 4-[[2-(methylcarbamothioylamino)phenoxy]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[2-(methylcarbamothioylamino)phenoxy]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[2-(methylcarbamothioylamino)phenoxy]methyl]piperidine-1-carboxylate CAS Name: 4-[[2-[[methylamino(sulfanylidene)methyl]amino]phenoxy]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-(methylcarbamothioylamino)phenoxy]methyl]piperidine-1-carboxylate Traditional Name: 4-[[2-(methylthiocarbamoylamino)phenoxy]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C19H29N3O3S MolecularWeight: 379.51686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)COC2=CC=CC=C2NC(=S)NC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)COC2=CC=CC=C2NC(=S)NC

InChI

InChI=1S/C19H29N3O3S/c1-19(2,3)25-18(23)22-11-9-14(10-12-22)13-24-16-8-6-5-7-15(16)21-17(26)20-4/h5-8,14H,9-13H2,1-4H3,(H2,20,21,26)