6-(tert-butylcarbamoylamino)-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-3-propyl-benzimidazole-4-carboxylic acid

Systemtic Name: 6-(tert-butylcarbamoylamino)-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-3-propyl-benzimidazole-4-carboxylic acid Openeye Name: 6-(tert-butylcarbamoylamino)-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-3-propyl-benzimidazole-4-carboxylic acid CAS Name: 6-[[(tert-butylamino)-oxomethyl]amino]-2-[(2-methoxy-5-nitrophenyl)methylthio]-3-propyl-4-benzimidazolecarboxylic acid IUPAC Name: 6-(tert-butylcarbamoylamino)-2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-3-propylbenzimidazole-4-carboxylic acid Traditional Name: 6-(tert-butylcarbamoylamino)-2-[(2-methoxy-5-nitro-benzyl)thio]-3-propyl-benzimidazole-4-carboxylic acid Formula: C24H29N5O6S MolecularWeight: 515.58196

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2C(=O)O)NC(=O)NC(C)(C)C)N=C1SCC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCCN1C2=C(C=C(C=C2C(=O)O)NC(=O)NC(C)(C)C)N=C1SCC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C24H29N5O6S/c1-6-9-28-20-17(21(30)31)11-15(25-22(32)27-24(2,3)4)12-18(20)26-23(28)36-13-14-10-16(29(33)34)7-8-19(14)35-5/h7-8,10-12H,6,9,13H2,1-5H3,(H,30,31)(H2,25,27,32)