sodium 4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazine-1-carbodithioate

Systemtic Name: sodium 4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazine-1-carbodithioate Openeye Name: sodium 4-[2-(2,6-dimethylanilino)-2-oxo-ethyl]piperazine-1-carbodithioate CAS Name: sodium 4-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-piperazinecarbodithioate IUPAC Name: sodium 4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbodithioate Traditional Name: sodium 4-[2-(2,6-dimethylanilino)-2-keto-ethyl]piperazine-1-carbodithioate Formula: C15H20N3NaOS2 MolecularWeight: 345.45857

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=S)[S-].[Na+]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=S)[S-].[Na+]

InChI

InChI=1S/C15H21N3OS2.Na/c1-11-4-3-5-12(2)14(11)16-13(19)10-17-6-8-18(9-7-17)15(20)21;/h3-5H,6-10H2,1-2H3,(H,16,19)(H,20,21);/q;+1/p-1