(phenylmethyl) N-(1,4-dimethylbenzimidazol-2-yl)-N-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]carbamate

Systemtic Name: (phenylmethyl) N-(1,4-dimethylbenzimidazol-2-yl)-N-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]carbamate Openeye Name: benzyl N-[(E)-N'-benzyloxycarbonylcarbamimidoyl]-N-(1,4-dimethylbenzimidazol-2-yl)carbamate CAS Name: N-[(E)-amino(phenylmethoxycarbonylimino)methyl]-N-(1,4-dimethyl-2-benzimidazolyl)carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-(1,4-dimethylbenzimidazol-2-yl)-N-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]carbamate Traditional Name: N-[(E)-N'-carbobenzoxyamidino]-N-(1,4-dimethylbenzimidazol-2-yl)carbamic acid benzyl ester Formula: C26H25N5O4 MolecularWeight: 471.5078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N(C(=N2)N(C(=NC(=O)OCC3=CC=CC=C3)N)C(=O)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C2C(=CC=C1)N(C(=N2)N(/C(=N/C(=O)OCC3=CC=CC=C3)/N)C(=O)OCC4=CC=CC=C4)C

InChI

InChI=1S/C26H25N5O4/c1-18-10-9-15-21-22(18)28-24(30(21)2)31(26(33)35-17-20-13-7-4-8-14-20)23(27)29-25(32)34-16-19-11-5-3-6-12-19/h3-15H,16-17H2,1-2H3,(H2,27,29,32)