[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxidanylidene-propyl] (2S)-2-methylpiperidine-1-carbodithioate

Systemtic Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxidanylidene-propyl] (2S)-2-methylpiperidine-1-carbodithioate Openeye Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxo-propyl] (2S)-2-methylpiperidine-1-carbodithioate CAS Name: (2S)-2-methyl-1-piperidinecarbodithioic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ester IUPAC Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] (2S)-2-methylpiperidine-1-carbodithioate Traditional Name: (2S)-2-methylpiperidine-1-carbodithioic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-keto-propyl] ester Formula: C18H20N4OS2 MolecularWeight: 372.5076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=S)SCC(=O)C(C#N)C2=NC3=CC=CC=C3N2

Isomeric SMILES

C[C@H]1CCCCN1C(=S)SCC(=O)C(C#N)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C18H20N4OS2/c1-12-6-4-5-9-22(12)18(24)25-11-16(23)13(10-19)17-20-14-7-2-3-8-15(14)21-17/h2-3,7-8,12-13H,4-6,9,11H2,1H3,(H,20,21)/t12-,13?/m0/s1