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

Systemtic Name: ethyl 3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1,3-benzothiazol-5-yl]carbonyl-propyl-amino]propanoate Openeye Name: ethyl 3-[[2-[(4-carbamimidoylanilino)methyl]-1,3-benzothiazole-5-carbonyl]-propyl-amino]propanoate CAS Name: 3-[[[2-[(4-carbamimidoylanilino)methyl]-1,3-benzothiazol-5-yl]-oxomethyl]-propylamino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(4-carbamimidoylanilino)methyl]-1,3-benzothiazole-5-carbonyl]-propylamino]propanoate Traditional Name: 3-[[2-[(4-amidinoanilino)methyl]-1,3-benzothiazole-5-carbonyl]-propyl-amino]propionic acid ethyl ester Formula: C24H29N5O3S MolecularWeight: 467.58376

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC(=O)OCC)C(=O)C1=CC2=C(C=C1)SC(=N2)CNC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCCN(CCC(=O)OCC)C(=O)C1=CC2=C(C=C1)SC(=N2)CNC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C24H29N5O3S/c1-3-12-29(13-11-22(30)32-4-2)24(31)17-7-10-20-19(14-17)28-21(33-20)15-27-18-8-5-16(6-9-18)23(25)26/h5-10,14,27H,3-4,11-13,15H2,1-2H3,(H3,25,26)