S-[4-(1H-benzimidazol-2-ylcarbonylsulfanyl)butyl] 1H-benzimidazole-2-carbothioate

Systemtic Name: S-[4-(1H-benzimidazol-2-ylcarbonylsulfanyl)butyl] 1H-benzimidazole-2-carbothioate Openeye Name: S-[4-(1H-benzimidazole-2-carbonylsulfanyl)butyl] 1H-benzimidazole-2-carbothioate CAS Name: 1H-benzimidazole-2-carbothioic acid S-[4-[[1H-benzimidazol-2-yl(oxo)methyl]thio]butyl] ester IUPAC Name: S-[4-(1H-benzimidazole-2-carbonylsulfanyl)butyl] 1H-benzimidazole-2-carbothioate Traditional Name: 1H-benzimidazole-2-carbothioic acid S-[4-(1H-benzimidazole-2-carbonylthio)butyl] ester Formula: C20H18N4O2S2 MolecularWeight: 410.51252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C(=O)SCCCCSC(=O)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)C(=O)SCCCCSC(=O)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H18N4O2S2/c25-19(17-21-13-7-1-2-8-14(13)22-17)27-11-5-6-12-28-20(26)18-23-15-9-3-4-10-16(15)24-18/h1-4,7-10H,5-6,11-12H2,(H,21,22)(H,23,24)