4-[(1-phenyl-3-sulfanyl-propan-2-yl)carbamoyl]piperazine-1-carboxylate

Systemtic Name: 4-[(1-phenyl-3-sulfanyl-propan-2-yl)carbamoyl]piperazine-1-carboxylate Openeye Name: 4-[(1-benzyl-2-sulfanyl-ethyl)carbamoyl]piperazine-1-carboxylate CAS Name: 4-[[(1-mercapto-3-phenylpropan-2-yl)amino]-oxomethyl]-1-piperazinecarboxylate IUPAC Name: 4-[(1-phenyl-3-sulfanylpropan-2-yl)carbamoyl]piperazine-1-carboxylate Traditional Name: 4-[(1-benzyl-2-mercapto-ethyl)carbamoyl]piperazine-1-carboxylate Formula: C15H20N3O3S- MolecularWeight: 322.4026

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)NC(CC2=CC=CC=C2)CS)C(=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)NC(CC2=CC=CC=C2)CS)C(=O)[O-]

InChI

InChI=1S/C15H21N3O3S/c19-14(17-6-8-18(9-7-17)15(20)21)16-13(11-22)10-12-4-2-1-3-5-12/h1-5,13,22H,6-11H2,(H,16,19)(H,20,21)/p-1