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

Systemtic Name: sodium 4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazine-1-carbodithioate hydrate Openeye Name: sodium 4-[2-(2,6-dimethylanilino)-2-oxo-ethyl]piperazine-1-carbodithioate hydrate CAS Name: sodium 4-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-piperazinecarbodithioate hydrate IUPAC Name: sodium 4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbodithioate hydrate Traditional Name: sodium 4-[2-(2,6-dimethylanilino)-2-keto-ethyl]piperazine-1-carbodithioate hydrate Formula: C15H22N3NaO2S2 MolecularWeight: 363.47385

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3OS2.Na.H2O/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);;1H2/q;+1;/p-1