N-[[5-carbamimidoyl-1-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]benzimidazol-2-yl]methyl]-N-(4-cyclohexyloxyphenyl)-4-methyl-benzamide

Systemtic Name: N-[[5-carbamimidoyl-1-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]benzimidazol-2-yl]methyl]-N-(4-cyclohexyloxyphenyl)-4-methyl-benzamide Openeye Name: N-[[5-carbamimidoyl-1-[2-(cyclohexylamino)-2-oxo-ethyl]benzimidazol-2-yl]methyl]-N-[4-(cyclohexoxy)phenyl]-4-methyl-benzamide CAS Name: N-[[5-carbamimidoyl-1-[2-(cyclohexylamino)-2-oxoethyl]-2-benzimidazolyl]methyl]-N-(4-cyclohexyloxyphenyl)-4-methylbenzamide IUPAC Name: N-[[5-carbamimidoyl-1-[2-(cyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-N-(4-cyclohexyloxyphenyl)-4-methylbenzamide Traditional Name: N-[[5-amidino-1-[2-(cyclohexylamino)-2-keto-ethyl]benzimidazol-2-yl]methyl]-N-[4-(cyclohexoxy)phenyl]-4-methyl-benzamide Formula: C37H44N6O3 MolecularWeight: 620.78366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CC2=NC3=C(N2CC(=O)NC4CCCCC4)C=CC(=C3)C(=N)N)C5=CC=C(C=C5)OC6CCCCC6

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CC2=NC3=C(N2CC(=O)NC4CCCCC4)C=CC(=C3)C(=N)N)C5=CC=C(C=C5)OC6CCCCC6

InChI

InChI=1S/C37H44N6O3/c1-25-12-14-26(15-13-25)37(45)42(29-17-19-31(20-18-29)46-30-10-6-3-7-11-30)23-34-41-32-22-27(36(38)39)16-21-33(32)43(34)24-35(44)40-28-8-4-2-5-9-28/h12-22,28,30H,2-11,23-24H2,1H3,(H3,38,39)(H,40,44)