ethyl 4-[[2-(2-cyanophenyl)sulfanylphenyl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[2-(2-cyanophenyl)sulfanylphenyl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-(2-cyanophenyl)sulfanylbenzoyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[2-[(2-cyanophenyl)thio]phenyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(2-cyanophenyl)sulfanylbenzoyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[(2-cyanophenyl)thio]benzoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

InChI

InChI=1S/C22H23N3O3S/c1-2-28-22(27)25-13-11-17(12-14-25)24-21(26)18-8-4-6-10-20(18)29-19-9-5-3-7-16(19)15-23/h3-10,17H,2,11-14H2,1H3,(H,24,26)