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

Systemtic Name: ethyl 2-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1,3-benzothiazol-5-yl]carbonyl-phenyl-amino]ethanoate Openeye Name: ethyl 2-(N-[2-[(4-carbamimidoylanilino)methyl]-1,3-benzothiazole-5-carbonyl]anilino)acetate CAS Name: 2-(N-[[2-[(4-carbamimidoylanilino)methyl]-1,3-benzothiazol-5-yl]-oxomethyl]anilino)acetic acid ethyl ester IUPAC Name: ethyl 2-(N-[2-[(4-carbamimidoylanilino)methyl]-1,3-benzothiazole-5-carbonyl]anilino)acetate Traditional Name: 2-(N-[2-[(4-amidinoanilino)methyl]-1,3-benzothiazole-5-carbonyl]anilino)acetic acid ethyl ester Formula: C26H25N5O3S MolecularWeight: 487.5734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N5O3S/c1-2-34-24(32)16-31(20-6-4-3-5-7-20)26(33)18-10-13-22-21(14-18)30-23(35-22)15-29-19-11-8-17(9-12-19)25(27)28/h3-14,29H,2,15-16H2,1H3,(H3,27,28)