methyl N-[6-[1,3-bis(chloranyl)propan-2-ylcarbamoyl]-1H-benzimidazol-2-yl]carbamate

Systemtic Name: methyl N-[6-[1,3-bis(chloranyl)propan-2-ylcarbamoyl]-1H-benzimidazol-2-yl]carbamate Openeye Name: methyl N-[6-[[2-chloro-1-(chloromethyl)ethyl]carbamoyl]-1H-benzimidazol-2-yl]carbamate CAS Name: N-[6-[(1,3-dichloropropan-2-ylamino)-oxomethyl]-1H-benzimidazol-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[6-(1,3-dichloropropan-2-ylcarbamoyl)-1H-benzimidazol-2-yl]carbamate Traditional Name: N-[6-[[2-chloro-1-(chloromethyl)ethyl]carbamoyl]-1H-benzimidazol-2-yl]carbamic acid methyl ester Formula: C13H14Cl2N4O3 MolecularWeight: 345.18126

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)NC(CCl)CCl

Isomeric SMILES

COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)NC(CCl)CCl

InChI

InChI=1S/C13H14Cl2N4O3/c1-22-13(21)19-12-17-9-3-2-7(4-10(9)18-12)11(20)16-8(5-14)6-15/h2-4,8H,5-6H2,1H3,(H,16,20)(H2,17,18,19,21)