tert-butyl 4-[(4-aminocarbonyl-3-methylsulfanyl-phenyl)amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(4-aminocarbonyl-3-methylsulfanyl-phenyl)amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-(4-carbamoyl-3-methylsulfanyl-anilino)piperidine-1-carboxylate CAS Name: 4-[4-carbamoyl-3-(methylthio)anilino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-carbamoyl-3-methylsulfanylanilino)piperidine-1-carboxylate Traditional Name: 4-[4-carbamoyl-3-(methylthio)anilino]piperidine-1-carboxylic acid tert-butyl ester Formula: C18H27N3O3S MolecularWeight: 365.49028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)NC2=CC(=C(C=C2)C(=O)N)SC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)NC2=CC(=C(C=C2)C(=O)N)SC

InChI

InChI=1S/C18H27N3O3S/c1-18(2,3)24-17(23)21-9-7-12(8-10-21)20-13-5-6-14(16(19)22)15(11-13)25-4/h5-6,11-12,20H,7-10H2,1-4H3,(H2,19,22)