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

Systemtic Name: ethyl 3-[[2-[[(4-carbamimidoylphenyl)-methyl-amino]methyl]-1,3-benzothiazol-5-yl]carbonyl-phenyl-amino]propanoate Openeye Name: ethyl 3-(N-[2-[(4-carbamimidoyl-N-methyl-anilino)methyl]-1,3-benzothiazole-5-carbonyl]anilino)propanoate CAS Name: 3-(N-[[2-[(4-carbamimidoyl-N-methylanilino)methyl]-1,3-benzothiazol-5-yl]-oxomethyl]anilino)propanoic acid ethyl ester IUPAC Name: ethyl 3-(N-[2-[(4-carbamimidoyl-N-methylanilino)methyl]-1,3-benzothiazole-5-carbonyl]anilino)propanoate Traditional Name: 3-(N-[2-[(4-amidino-N-methyl-anilino)methyl]-1,3-benzothiazole-5-carbonyl]anilino)propionic acid ethyl ester Formula: C28H29N5O3S MolecularWeight: 515.62656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N5O3S/c1-3-36-26(34)15-16-33(22-7-5-4-6-8-22)28(35)20-11-14-24-23(17-20)31-25(37-24)18-32(2)21-12-9-19(10-13-21)27(29)30/h4-14,17H,3,15-16,18H2,1-2H3,(H3,29,30)