4-[[3-(dimethylcarbamothioyl)phenyl]methyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[[3-(dimethylcarbamothioyl)phenyl]methyl]piperazine-1-carboxylic acid Openeye Name: 4-[[3-(dimethylcarbamothioyl)phenyl]methyl]piperazine-1-carboxylic acid CAS Name: 4-[[3-[dimethylamino(sulfanylidene)methyl]phenyl]methyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[[3-(dimethylcarbamothioyl)phenyl]methyl]piperazine-1-carboxylic acid Traditional Name: 4-[3-(dimethylthiocarbamoyl)benzyl]piperazine-1-carboxylic acid Formula: C15H21N3O2S MolecularWeight: 307.41114

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=S)C1=CC(=CC=C1)CN2CCN(CC2)C(=O)O

Isomeric SMILES

CN(C)C(=S)C1=CC(=CC=C1)CN2CCN(CC2)C(=O)O

InChI

InChI=1S/C15H21N3O2S/c1-16(2)14(21)13-5-3-4-12(10-13)11-17-6-8-18(9-7-17)15(19)20/h3-5,10H,6-9,11H2,1-2H3,(H,19,20)