methyl 3-[4-[4-(1-carbamimidoylpiperidin-4-yl)phenyl]-1,3-thiazol-2-yl]propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=NC(=CS1)C2=CC=C(C=C2)C3CCN(CC3)C(=N)N

Isomeric SMILES

COC(=O)CCC1=NC(=CS1)C2=CC=C(C=C2)C3CCN(CC3)C(=N)N

InChI

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