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

Systemtic Name: methyl 6-(tert-butylcarbamoylamino)-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-3-propyl-benzimidazole-4-carboxylate Openeye Name: methyl 6-(tert-butylcarbamoylamino)-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-3-propyl-benzimidazole-4-carboxylate CAS Name: 6-[[(tert-butylamino)-oxomethyl]amino]-2-[(2-methoxy-5-nitrophenyl)methylthio]-3-propyl-4-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 6-(tert-butylcarbamoylamino)-2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-3-propylbenzimidazole-4-carboxylate Traditional Name: 6-(tert-butylcarbamoylamino)-2-[(2-methoxy-5-nitro-benzyl)thio]-3-propyl-benzimidazole-4-carboxylic acid methyl ester Formula: C25H31N5O6S MolecularWeight: 529.60854

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H31N5O6S/c1-7-10-29-21-18(22(31)36-6)12-16(26-23(32)28-25(2,3)4)13-19(21)27-24(29)37-14-15-11-17(30(33)34)8-9-20(15)35-5/h8-9,11-13H,7,10,14H2,1-6H3,(H2,26,28,32)