S-[5-[(4-propyl-1H-benzimidazol-2-yl)carbonylsulfanyl]pentyl] 4-propyl-1H-benzimidazole-2-carbothioate

Systemtic Name: S-[5-[(4-propyl-1H-benzimidazol-2-yl)carbonylsulfanyl]pentyl] 4-propyl-1H-benzimidazole-2-carbothioate Openeye Name: S-[5-(4-propyl-1H-benzimidazole-2-carbonyl)sulfanylpentyl] 4-propyl-1H-benzimidazole-2-carbothioate CAS Name: 4-propyl-1H-benzimidazole-2-carbothioic acid S-[5-[[oxo-(4-propyl-1H-benzimidazol-2-yl)methyl]thio]pentyl] ester IUPAC Name: S-[5-(4-propyl-1H-benzimidazole-2-carbonyl)sulfanylpentyl] 4-propyl-1H-benzimidazole-2-carbothioate Traditional Name: 4-propyl-1H-benzimidazole-2-carbothioic acid S-[5-[(4-propyl-1H-benzimidazole-2-carbonyl)thio]pentyl] ester Formula: C27H32N4O2S2 MolecularWeight: 508.69858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=CC=C1)NC(=N2)C(=O)SCCCCCSC(=O)C3=NC4=C(C=CC=C4N3)CCC

Isomeric SMILES

CCCC1=C2C(=CC=C1)NC(=N2)C(=O)SCCCCCSC(=O)C3=NC4=C(C=CC=C4N3)CCC

InChI

InChI=1S/C27H32N4O2S2/c1-3-10-18-12-8-14-20-22(18)30-24(28-20)26(32)34-16-6-5-7-17-35-27(33)25-29-21-15-9-13-19(11-4-2)23(21)31-25/h8-9,12-15H,3-7,10-11,16-17H2,1-2H3,(H,28,30)(H,29,31)