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

Systemtic Name: 3-[(3E)-5-bromanyl-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-N-(3-phenylpropyl)propanamide Openeye Name: 3-[(3E)-5-bromo-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]-N-(3-phenylpropyl)propanamide CAS Name: 3-[(3E)-5-bromo-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]-N-(3-phenylpropyl)propanamide IUPAC Name: 3-[(3E)-5-bromo-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-N-(3-phenylpropyl)propanamide Traditional Name: 3-[(3E)-3-(5-amidino-1,3-dihydrobenzimidazol-2-ylidene)-5-bromo-4-keto-cyclohexa-1,5-dien-1-yl]-N-(3-phenylpropyl)propionamide Formula: C26H26BrN5O2 MolecularWeight: 520.42094

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H26BrN5O2/c27-20-14-17(8-11-23(33)30-12-4-7-16-5-2-1-3-6-16)13-19(24(20)34)26-31-21-10-9-18(25(28)29)15-22(21)32-26/h1-3,5-6,9-10,13-15,31-32H,4,7-8,11-12H2,(H3,28,29)(H,30,33)/b26-19+