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

Systemtic Name: (3S)-1-[(3,4-dichlorophenyl)carbamothioyl]-N,N-diethyl-piperidine-3-carboxamide Openeye Name: (3S)-1-[(3,4-dichlorophenyl)carbamothioyl]-N,N-diethyl-piperidine-3-carboxamide CAS Name: (3S)-1-[(3,4-dichloroanilino)-sulfanylidenemethyl]-N,N-diethyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-[(3,4-dichlorophenyl)carbamothioyl]-N,N-diethylpiperidine-3-carboxamide Traditional Name: (3S)-1-[(3,4-dichlorophenyl)thiocarbamoyl]-N,N-diethyl-nipecotamide Formula: C17H23Cl2N3OS MolecularWeight: 388.35502

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCCN(C1)C(=S)NC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CCN(CC)C(=O)[C@H]1CCCN(C1)C(=S)NC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C17H23Cl2N3OS/c1-3-21(4-2)16(23)12-6-5-9-22(11-12)17(24)20-13-7-8-14(18)15(19)10-13/h7-8,10,12H,3-6,9,11H2,1-2H3,(H,20,24)/t12-/m0/s1