S-[5-(5-chloranyl-1-propanoyl-benzimidazol-2-yl)carbonylsulfanylpentyl] 6-chloranyl-1-propanoyl-benzimidazole-2-carbothioate

Systemtic Name: S-[5-(5-chloranyl-1-propanoyl-benzimidazol-2-yl)carbonylsulfanylpentyl] 6-chloranyl-1-propanoyl-benzimidazole-2-carbothioate Openeye Name: S-[5-(5-chloro-1-propanoyl-benzimidazole-2-carbonyl)sulfanylpentyl] 6-chloro-1-propanoyl-benzimidazole-2-carbothioate CAS Name: 6-chloro-1-(1-oxopropyl)-2-benzimidazolecarbothioic acid S-[5-[[[5-chloro-1-(1-oxopropyl)-2-benzimidazolyl]-oxomethyl]thio]pentyl] ester IUPAC Name: S-[5-(5-chloro-1-propanoylbenzimidazole-2-carbonyl)sulfanylpentyl] 6-chloro-1-propanoylbenzimidazole-2-carbothioate Traditional Name: 6-chloro-1-propionyl-benzimidazole-2-carbothioic acid S-[5-[(5-chloro-1-propionyl-benzimidazole-2-carbonyl)thio]pentyl] ester Formula: C27H26Cl2N4O4S2 MolecularWeight: 605.55574

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C2=C(C=C(C=C2)Cl)N=C1C(=O)SCCCCCSC(=O)C3=NC4=C(N3C(=O)CC)C=C(C=C4)Cl

Isomeric SMILES

CCC(=O)N1C2=C(C=C(C=C2)Cl)N=C1C(=O)SCCCCCSC(=O)C3=NC4=C(N3C(=O)CC)C=C(C=C4)Cl

InChI

InChI=1S/C27H26Cl2N4O4S2/c1-3-22(34)32-20-11-9-16(28)14-19(20)31-25(32)27(37)39-13-7-5-6-12-38-26(36)24-30-18-10-8-17(29)15-21(18)33(24)23(35)4-2/h8-11,14-15H,3-7,12-13H2,1-2H3