S-[5-(1-propanoylbenzimidazol-2-yl)carbonylsulfanylpentyl] 1-propanoylbenzimidazole-2-carbothioate

Systemtic Name: S-[5-(1-propanoylbenzimidazol-2-yl)carbonylsulfanylpentyl] 1-propanoylbenzimidazole-2-carbothioate Openeye Name: S-[5-(1-propanoylbenzimidazole-2-carbonyl)sulfanylpentyl] 1-propanoylbenzimidazole-2-carbothioate CAS Name: 1-(1-oxopropyl)-2-benzimidazolecarbothioic acid S-[5-[[oxo-[1-(1-oxopropyl)-2-benzimidazolyl]methyl]thio]pentyl] ester IUPAC Name: S-[5-(1-propanoylbenzimidazole-2-carbonyl)sulfanylpentyl] 1-propanoylbenzimidazole-2-carbothioate Traditional Name: 1-propionylbenzimidazole-2-carbothioic acid S-[5-[(1-propionylbenzimidazole-2-carbonyl)thio]pentyl] ester Formula: C27H28N4O4S2 MolecularWeight: 536.66562

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C2=CC=CC=C2N=C1C(=O)SCCCCCSC(=O)C3=NC4=CC=CC=C4N3C(=O)CC

Isomeric SMILES

CCC(=O)N1C2=CC=CC=C2N=C1C(=O)SCCCCCSC(=O)C3=NC4=CC=CC=C4N3C(=O)CC

InChI

InChI=1S/C27H28N4O4S2/c1-3-22(32)30-20-14-8-6-12-18(20)28-24(30)26(34)36-16-10-5-11-17-37-27(35)25-29-19-13-7-9-15-21(19)31(25)23(33)4-2/h6-9,12-15H,3-5,10-11,16-17H2,1-2H3