N-butyl-2-methyl-benzimidazole-1-carboxamide; methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate

Systemtic Name: N-butyl-2-methyl-benzimidazole-1-carboxamide; methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate Openeye Name: N-butyl-2-methyl-benzimidazole-1-carboxamide; methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate CAS Name: N-[1-[butylamino(oxo)methyl]-2-benzimidazolyl]carbamic acid methyl ester; N-butyl-2-methyl-1-benzimidazolecarboxamide IUPAC Name: N-butyl-2-methylbenzimidazole-1-carboxamide; methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate Traditional Name: N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamic acid methyl ester; N-butyl-2-methyl-benzimidazole-1-carboxamide Formula: C27H35N7O4 MolecularWeight: 521.6113

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1C(=NC2=CC=CC=C21)C.CCCCNC(=O)N1C2=CC=CC=C2N=C1NC(=O)OC

Isomeric SMILES

CCCCNC(=O)N1C(=NC2=CC=CC=C21)C.CCCCNC(=O)N1C2=CC=CC=C2N=C1NC(=O)OC

InChI

InChI=1S/C14H18N4O3.C13H17N3O/c1-3-4-9-15-13(19)18-11-8-6-5-7-10(11)16-12(18)17-14(20)21-2;1-3-4-9-14-13(17)16-10(2)15-11-7-5-6-8-12(11)16/h5-8H,3-4,9H2,1-2H3,(H,15,19)(H,16,17,20);5-8H,3-4,9H2,1-2H3,(H,14,17)