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

Systemtic Name: methyl 3-[2-[1-(4-carbamimidoylphenyl)piperidin-4-yl]-1,3-thiazol-4-yl]propanoate Openeye Name: methyl 3-[2-[1-(4-carbamimidoylphenyl)-4-piperidyl]thiazol-4-yl]propanoate CAS Name: 3-[2-[1-(4-carbamimidoylphenyl)-4-piperidinyl]-4-thiazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[1-(4-carbamimidoylphenyl)piperidin-4-yl]-1,3-thiazol-4-yl]propanoate Traditional Name: 3-[2-[1-(4-amidinophenyl)-4-piperidyl]thiazol-4-yl]propionic acid methyl ester Formula: C19H24N4O2S MolecularWeight: 372.48446

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CSC(=N1)C2CCN(CC2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCC1=CSC(=N1)C2CCN(CC2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H24N4O2S/c1-25-17(24)7-4-15-12-26-19(22-15)14-8-10-23(11-9-14)16-5-2-13(3-6-16)18(20)21/h2-3,5-6,12,14H,4,7-11H2,1H3,(H3,20,21)