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

Systemtic Name: methyl 3-[2-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-1,3-thiazol-4-yl]propanoate Openeye Name: methyl 3-[2-[4-(4-carbamimidoylphenyl)piperazin-1-yl]thiazol-4-yl]propanoate CAS Name: 3-[2-[4-(4-carbamimidoylphenyl)-1-piperazinyl]-4-thiazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-1,3-thiazol-4-yl]propanoate Traditional Name: 3-[2-[4-(4-amidinophenyl)piperazino]thiazol-4-yl]propionic acid methyl ester Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CSC(=N1)N2CCN(CC2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCC1=CSC(=N1)N2CCN(CC2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C18H23N5O2S/c1-25-16(24)7-4-14-12-26-18(21-14)23-10-8-22(9-11-23)15-5-2-13(3-6-15)17(19)20/h2-3,5-6,12H,4,7-11H2,1H3,(H3,19,20)