(3-cyano-3,3-diphenyl-propyl) 4-methylpiperazine-1-carbodithioate chloride

Systemtic Name: (3-cyano-3,3-diphenyl-propyl) 4-methylpiperazine-1-carbodithioate chloride Openeye Name: (3-cyano-3,3-diphenyl-propyl) 4-methylpiperazine-1-carbodithioate chloride CAS Name: 4-methyl-1-piperazinecarbodithioic acid (3-cyano-3,3-diphenylpropyl) ester chloride IUPAC Name: (3-cyano-3,3-diphenylpropyl) 4-methylpiperazine-1-carbodithioate chloride Traditional Name: 4-methylpiperazine-1-carbodithioic acid (3-cyano-3,3-diphenyl-propyl) ester chloride Formula: C22H25ClN3S2- MolecularWeight: 431.037

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=S)SCCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CN1CCN(CC1)C(=S)SCCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C22H25N3S2.ClH/c1-24-13-15-25(16-14-24)21(26)27-17-12-22(18-23,19-8-4-2-5-9-19)20-10-6-3-7-11-20;/h2-11H,12-17H2,1H3;1H/p-1