6-(tert-butylcarbamoylamino)-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-N,N-dimethyl-3-propyl-benzimidazole-4-carboxamide

Systemtic Name: 6-(tert-butylcarbamoylamino)-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-N,N-dimethyl-3-propyl-benzimidazole-4-carboxamide Openeye Name: 6-(tert-butylcarbamoylamino)-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-N,N-dimethyl-3-propyl-benzimidazole-4-carboxamide CAS Name: 6-[[(tert-butylamino)-oxomethyl]amino]-2-[(2-methoxy-5-nitrophenyl)methylthio]-N,N-dimethyl-3-propyl-4-benzimidazolecarboxamide IUPAC Name: 6-(tert-butylcarbamoylamino)-2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-N,N-dimethyl-3-propylbenzimidazole-4-carboxamide Traditional Name: 6-(tert-butylcarbamoylamino)-2-[(2-methoxy-5-nitro-benzyl)thio]-N,N-dimethyl-3-propyl-benzimidazole-4-carboxamide Formula: C26H34N6O5S MolecularWeight: 542.65036

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H34N6O5S/c1-8-11-31-22-19(23(33)30(5)6)13-17(27-24(34)29-26(2,3)4)14-20(22)28-25(31)38-15-16-12-18(32(35)36)9-10-21(16)37-7/h9-10,12-14H,8,11,15H2,1-7H3,(H2,27,29,34)