3-[(3E)-5-bromanyl-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-N-(phenylmethyl)propanamide

Systemtic Name: 3-[(3E)-5-bromanyl-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-3-[(3E)-5-bromo-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]propanamide CAS Name: 3-[(3E)-5-bromo-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-3-[(3E)-5-bromo-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]propanamide Traditional Name: 3-[(3E)-3-(5-amidino-1,3-dihydrobenzimidazol-2-ylidene)-5-bromo-4-keto-cyclohexa-1,5-dien-1-yl]-N-benzyl-propionamide Formula: C24H22BrN5O2 MolecularWeight: 492.36778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CCC2=CC(=C3NC4=C(N3)C=C(C=C4)C(=N)N)C(=O)C(=C2)Br

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CCC2=C/C(=C\3/NC4=C(N3)C=C(C=C4)C(=N)N)/C(=O)C(=C2)Br

InChI

InChI=1S/C24H22BrN5O2/c25-18-11-15(6-9-21(31)28-13-14-4-2-1-3-5-14)10-17(22(18)32)24-29-19-8-7-16(23(26)27)12-20(19)30-24/h1-5,7-8,10-12,29-30H,6,9,13H2,(H3,26,27)(H,28,31)/b24-17+