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

Systemtic Name: 6-(tert-butylcarbamoylamino)-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-N-methyl-3-propyl-benzimidazole-4-carboxamide Openeye Name: 6-(tert-butylcarbamoylamino)-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-N-methyl-3-propyl-benzimidazole-4-carboxamide CAS Name: 6-[[(tert-butylamino)-oxomethyl]amino]-2-[(2-methoxy-5-nitrophenyl)methylthio]-N-methyl-3-propyl-4-benzimidazolecarboxamide IUPAC Name: 6-(tert-butylcarbamoylamino)-2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-N-methyl-3-propylbenzimidazole-4-carboxamide Traditional Name: 6-(tert-butylcarbamoylamino)-2-[(2-methoxy-5-nitro-benzyl)thio]-N-methyl-3-propyl-benzimidazole-4-carboxamide Formula: C25H32N6O5S MolecularWeight: 528.62378

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H32N6O5S/c1-7-10-30-21-18(22(32)26-5)12-16(27-23(33)29-25(2,3)4)13-19(21)28-24(30)37-14-15-11-17(31(34)35)8-9-20(15)36-6/h8-9,11-13H,7,10,14H2,1-6H3,(H,26,32)(H2,27,29,33)