methyl 3-[4-[[4-(4-carbamimidoylphenyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]propanoate

Systemtic Name: methyl 3-[4-[[4-(4-carbamimidoylphenyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]propanoate Openeye Name: methyl 3-[4-[[4-(4-carbamimidoylphenyl)thiazol-2-yl]amino]-1-piperidyl]propanoate CAS Name: 3-[4-[[4-(4-carbamimidoylphenyl)-2-thiazolyl]amino]-1-piperidinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[[4-(4-carbamimidoylphenyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]propanoate Traditional Name: 3-[4-[[4-(4-amidinophenyl)thiazol-2-yl]amino]piperidino]propionic acid methyl ester Formula: C19H25N5O2S MolecularWeight: 387.4991

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CCC(CC1)NC2=NC(=CS2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCN1CCC(CC1)NC2=NC(=CS2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H25N5O2S/c1-26-17(25)8-11-24-9-6-15(7-10-24)22-19-23-16(12-27-19)13-2-4-14(5-3-13)18(20)21/h2-5,12,15H,6-11H2,1H3,(H3,20,21)(H,22,23)