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

Systemtic Name: 3-[(3E)-5-bromanyl-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-N-phenethyl-propanamide Openeye Name: 3-[(3E)-5-bromo-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]-N-phenethyl-propanamide CAS Name: 3-[(3E)-5-bromo-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]-N-phenethylpropanamide IUPAC Name: 3-[(3E)-5-bromo-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-N-phenethylpropanamide Traditional Name: 3-[(3E)-3-(5-amidino-1,3-dihydrobenzimidazol-2-ylidene)-5-bromo-4-keto-cyclohexa-1,5-dien-1-yl]-N-phenethyl-propionamide Formula: C25H24BrN5O2 MolecularWeight: 506.39436

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H24BrN5O2/c26-19-13-16(6-9-22(32)29-11-10-15-4-2-1-3-5-15)12-18(23(19)33)25-30-20-8-7-17(24(27)28)14-21(20)31-25/h1-5,7-8,12-14,30-31H,6,9-11H2,(H3,27,28)(H,29,32)/b25-18+