2-[2-[[2,6-bis(chloranyl)phenyl]carbonylamino]phenyl]-1-carbamothioyl-2-ethyl-piperidine-3-carboxylic acid

Systemtic Name: 2-[2-[[2,6-bis(chloranyl)phenyl]carbonylamino]phenyl]-1-carbamothioyl-2-ethyl-piperidine-3-carboxylic acid Openeye Name: 1-carbamothioyl-2-[2-[(2,6-dichlorobenzoyl)amino]phenyl]-2-ethyl-piperidine-3-carboxylic acid CAS Name: 1-carbamothioyl-2-[2-[[(2,6-dichlorophenyl)-oxomethyl]amino]phenyl]-2-ethyl-3-piperidinecarboxylic acid IUPAC Name: 1-carbamothioyl-2-[2-[(2,6-dichlorobenzoyl)amino]phenyl]-2-ethylpiperidine-3-carboxylic acid Traditional Name: 2-[2-[(2,6-dichlorobenzoyl)amino]phenyl]-2-ethyl-1-thiocarbamoyl-nipecotic acid Formula: C22H23Cl2N3O3S MolecularWeight: 480.40732

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(CCCN1C(=S)N)C(=O)O)C2=CC=CC=C2NC(=O)C3=C(C=CC=C3Cl)Cl

Isomeric SMILES

CCC1(C(CCCN1C(=S)N)C(=O)O)C2=CC=CC=C2NC(=O)C3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C22H23Cl2N3O3S/c1-2-22(14(20(29)30)8-6-12-27(22)21(25)31)13-7-3-4-11-17(13)26-19(28)18-15(23)9-5-10-16(18)24/h3-5,7,9-11,14H,2,6,8,12H2,1H3,(H2,25,31)(H,26,28)(H,29,30)