1-[(4-bromanyl-3-methyl-phenyl)carbamothioyl]-N,N-diethyl-piperidine-3-carboxamide

Systemtic Name: 1-[(4-bromanyl-3-methyl-phenyl)carbamothioyl]-N,N-diethyl-piperidine-3-carboxamide Openeye Name: 1-[(4-bromo-3-methyl-phenyl)carbamothioyl]-N,N-diethyl-piperidine-3-carboxamide CAS Name: 1-[(4-bromo-3-methylanilino)-sulfanylidenemethyl]-N,N-diethyl-3-piperidinecarboxamide IUPAC Name: 1-[(4-bromo-3-methylphenyl)carbamothioyl]-N,N-diethylpiperidine-3-carboxamide Traditional Name: 1-[(4-bromo-3-methyl-phenyl)thiocarbamoyl]-N,N-diethyl-nipecotamide Formula: C18H26BrN3OS MolecularWeight: 412.38754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26BrN3OS/c1-4-21(5-2)17(23)14-7-6-10-22(12-14)18(24)20-15-8-9-16(19)13(3)11-15/h8-9,11,14H,4-7,10,12H2,1-3H3,(H,20,24)