2-[3-(5-carbamimidoyl-2H-benzimidazol-2-yl)-5-(2-methylsulfanylphenyl)-4-oxidanyl-phenyl]butanedioic acid

Systemtic Name: 2-[3-(5-carbamimidoyl-2H-benzimidazol-2-yl)-5-(2-methylsulfanylphenyl)-4-oxidanyl-phenyl]butanedioic acid Openeye Name: 2-[3-(5-carbamimidoyl-2H-benzimidazol-2-yl)-4-hydroxy-5-(2-methylsulfanylphenyl)phenyl]butanedioic acid CAS Name: 2-[3-(5-carbamimidoyl-2H-benzimidazol-2-yl)-4-hydroxy-5-[2-(methylthio)phenyl]phenyl]butanedioic acid IUPAC Name: 2-[3-(5-carbamimidoyl-2H-benzimidazol-2-yl)-4-hydroxy-5-(2-methylsulfanylphenyl)phenyl]butanedioic acid Traditional Name: 2-[3-(5-amidino-2H-benzimidazol-2-yl)-4-hydroxy-5-[2-(methylthio)phenyl]phenyl]succinic acid Formula: C25H22N4O5S MolecularWeight: 490.53098

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C2=CC(=CC(=C2O)C3N=C4C=CC(=CC4=N3)C(=N)N)C(CC(=O)O)C(=O)O

Isomeric SMILES

CSC1=CC=CC=C1C2=CC(=CC(=C2O)C3N=C4C=CC(=CC4=N3)C(=N)N)C(CC(=O)O)C(=O)O

InChI

InChI=1S/C25H22N4O5S/c1-35-20-5-3-2-4-14(20)16-8-13(15(25(33)34)11-21(30)31)9-17(22(16)32)24-28-18-7-6-12(23(26)27)10-19(18)29-24/h2-10,15,24,32H,11H2,1H3,(H3,26,27)(H,30,31)(H,33,34)