S-[5-[1-(phenylmethyl)benzimidazol-2-yl]carbonylsulfanylpentyl] 1-(phenylmethyl)benzimidazole-2-carbothioate

Systemtic Name: S-[5-[1-(phenylmethyl)benzimidazol-2-yl]carbonylsulfanylpentyl] 1-(phenylmethyl)benzimidazole-2-carbothioate Openeye Name: S-[5-(1-benzylbenzimidazole-2-carbonyl)sulfanylpentyl] 1-benzylbenzimidazole-2-carbothioate CAS Name: 1-(phenylmethyl)-2-benzimidazolecarbothioic acid S-[5-[[oxo-[1-(phenylmethyl)-2-benzimidazolyl]methyl]thio]pentyl] ester IUPAC Name: S-[5-(1-benzylbenzimidazole-2-carbonyl)sulfanylpentyl] 1-benzylbenzimidazole-2-carbothioate Traditional Name: 1-benzylbenzimidazole-2-carbothioic acid S-[5-[(1-benzylbenzimidazole-2-carbonyl)thio]pentyl] ester Formula: C35H32N4O2S2 MolecularWeight: 604.78418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2C(=O)SCCCCCSC(=O)C4=NC5=CC=CC=C5N4CC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2C(=O)SCCCCCSC(=O)C4=NC5=CC=CC=C5N4CC6=CC=CC=C6

InChI

InChI=1S/C35H32N4O2S2/c40-34(32-36-28-18-8-10-20-30(28)38(32)24-26-14-4-1-5-15-26)42-22-12-3-13-23-43-35(41)33-37-29-19-9-11-21-31(29)39(33)25-27-16-6-2-7-17-27/h1-2,4-11,14-21H,3,12-13,22-25H2