tert-butyl 4-(phenylcarbonylcarbamothioyl)piperazine-1-carboxylate hydrochloride

Systemtic Name: tert-butyl 4-(phenylcarbonylcarbamothioyl)piperazine-1-carboxylate hydrochloride Openeye Name: tert-butyl 4-(benzoylcarbamothioyl)piperazine-1-carboxylate hydrochloride CAS Name: 4-[benzamido(sulfanylidene)methyl]-1-piperazinecarboxylic acid tert-butyl ester hydrochloride IUPAC Name: tert-butyl 4-(benzoylcarbamothioyl)piperazine-1-carboxylate hydrochloride Traditional Name: 4-(benzoylthiocarbamoyl)piperazine-1-carboxylic acid tert-butyl ester hydrochloride Formula: C17H24ClN3O3S MolecularWeight: 385.90876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=S)NC(=O)C2=CC=CC=C2.Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=S)NC(=O)C2=CC=CC=C2.Cl

InChI

InChI=1S/C17H23N3O3S.ClH/c1-17(2,3)23-16(22)20-11-9-19(10-12-20)15(24)18-14(21)13-7-5-4-6-8-13;/h4-8H,9-12H2,1-3H3,(H,18,21,24);1H