1-[(3,4-dichlorophenyl)carbamothioyl]piperidine-3-carboxamide

Systemtic Name: 1-[(3,4-dichlorophenyl)carbamothioyl]piperidine-3-carboxamide Openeye Name: 1-[(3,4-dichlorophenyl)carbamothioyl]piperidine-3-carboxamide CAS Name: 1-[(3,4-dichloroanilino)-sulfanylidenemethyl]-3-piperidinecarboxamide IUPAC Name: 1-[(3,4-dichlorophenyl)carbamothioyl]piperidine-3-carboxamide Traditional Name: 1-[(3,4-dichlorophenyl)thiocarbamoyl]nipecotamide Formula: C13H15Cl2N3OS MolecularWeight: 332.2487

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=S)NC2=CC(=C(C=C2)Cl)Cl)C(=O)N

Isomeric SMILES

C1CC(CN(C1)C(=S)NC2=CC(=C(C=C2)Cl)Cl)C(=O)N

InChI

InChI=1S/C13H15Cl2N3OS/c14-10-4-3-9(6-11(10)15)17-13(20)18-5-1-2-8(7-18)12(16)19/h3-4,6,8H,1-2,5,7H2,(H2,16,19)(H,17,20)