methyl 4-(phenylcarbamothioyl)piperazine-1-carboxylate

Systemtic Name: methyl 4-(phenylcarbamothioyl)piperazine-1-carboxylate Openeye Name: methyl 4-(phenylcarbamothioyl)piperazine-1-carboxylate CAS Name: 4-[anilino(sulfanylidene)methyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-(phenylcarbamothioyl)piperazine-1-carboxylate Traditional Name: 4-(phenylthiocarbamoyl)piperazine-1-carboxylic acid methyl ester Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(CC1)C(=S)NC2=CC=CC=C2

Isomeric SMILES

COC(=O)N1CCN(CC1)C(=S)NC2=CC=CC=C2

InChI

InChI=1S/C13H17N3O2S/c1-18-13(17)16-9-7-15(8-10-16)12(19)14-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,14,19)