2-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1,3-benzothiazol-5-yl]carbonyl-phenyl-amino]ethanoic acid

Systemtic Name: 2-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1,3-benzothiazol-5-yl]carbonyl-phenyl-amino]ethanoic acid Openeye Name: 2-(N-[2-[(4-carbamimidoylanilino)methyl]-1,3-benzothiazole-5-carbonyl]anilino)acetic acid CAS Name: 2-(N-[[2-[(4-carbamimidoylanilino)methyl]-1,3-benzothiazol-5-yl]-oxomethyl]anilino)acetic acid IUPAC Name: 2-(N-[2-[(4-carbamimidoylanilino)methyl]-1,3-benzothiazole-5-carbonyl]anilino)acetic acid Traditional Name: 2-(N-[2-[(4-amidinoanilino)methyl]-1,3-benzothiazole-5-carbonyl]anilino)acetic acid Formula: C24H21N5O3S MolecularWeight: 459.52024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC(=O)O)C(=O)C2=CC3=C(C=C2)SC(=N3)CNC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)N(CC(=O)O)C(=O)C2=CC3=C(C=C2)SC(=N3)CNC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C24H21N5O3S/c25-23(26)15-6-9-17(10-7-15)27-13-21-28-19-12-16(8-11-20(19)33-21)24(32)29(14-22(30)31)18-4-2-1-3-5-18/h1-12,27H,13-14H2,(H3,25,26)(H,30,31)