(3S)-3-[[(4-chlorophenyl)carbamothioylamino]carbamoyl]piperidine-1-carboxamide

Systemtic Name: (3S)-3-[[(4-chlorophenyl)carbamothioylamino]carbamoyl]piperidine-1-carboxamide Openeye Name: (3S)-3-[[(4-chlorophenyl)carbamothioylamino]carbamoyl]piperidine-1-carboxamide CAS Name: (3S)-3-[[[(4-chloroanilino)-sulfanylidenemethyl]hydrazo]-oxomethyl]-1-piperidinecarboxamide IUPAC Name: (3S)-3-[[(4-chlorophenyl)carbamothioylamino]carbamoyl]piperidine-1-carboxamide Traditional Name: (3S)-3-[[(4-chlorophenyl)thiocarbamoylamino]carbamoyl]piperidine-1-carboxamide Formula: C14H18ClN5O2S MolecularWeight: 355.84302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)N)C(=O)NNC(=S)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H18ClN5O2S/c15-10-3-5-11(6-4-10)17-14(23)19-18-12(21)9-2-1-7-20(8-9)13(16)22/h3-6,9H,1-2,7-8H2,(H2,16,22)(H,18,21)(H2,17,19,23)/t9-/m0/s1