1-[(3-chloranyl-2-methyl-phenyl)carbamothioyl]piperidine-3-carboxamide

Systemtic Name: 1-[(3-chloranyl-2-methyl-phenyl)carbamothioyl]piperidine-3-carboxamide Openeye Name: 1-[(3-chloro-2-methyl-phenyl)carbamothioyl]piperidine-3-carboxamide CAS Name: 1-[(3-chloro-2-methylanilino)-sulfanylidenemethyl]-3-piperidinecarboxamide IUPAC Name: 1-[(3-chloro-2-methylphenyl)carbamothioyl]piperidine-3-carboxamide Traditional Name: 1-[(3-chloro-2-methyl-phenyl)thiocarbamoyl]nipecotamide Formula: C14H18ClN3OS MolecularWeight: 311.83022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N2CCCC(C2)C(=O)N

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N2CCCC(C2)C(=O)N

InChI

InChI=1S/C14H18ClN3OS/c1-9-11(15)5-2-6-12(9)17-14(20)18-7-3-4-10(8-18)13(16)19/h2,5-6,10H,3-4,7-8H2,1H3,(H2,16,19)(H,17,20)