methyl 3-[4-(4-carbamimidoylphenyl)-2-piperazin-1-yl-5H-1,3-thiazol-4-yl]propanoate

Systemtic Name: methyl 3-[4-(4-carbamimidoylphenyl)-2-piperazin-1-yl-5H-1,3-thiazol-4-yl]propanoate Openeye Name: methyl 3-[4-(4-carbamimidoylphenyl)-2-piperazin-1-yl-5H-thiazol-4-yl]propanoate CAS Name: 3-[4-(4-carbamimidoylphenyl)-2-(1-piperazinyl)-5H-thiazol-4-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(4-carbamimidoylphenyl)-2-piperazin-1-yl-5H-1,3-thiazol-4-yl]propanoate Traditional Name: 3-[4-(4-amidinophenyl)-2-piperazino-2-thiazolin-4-yl]propionic acid methyl ester Formula: C18H25N5O2S MolecularWeight: 375.4884

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1(CSC(=N1)N2CCNCC2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCC1(CSC(=N1)N2CCNCC2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C18H25N5O2S/c1-25-15(24)6-7-18(14-4-2-13(3-5-14)16(19)20)12-26-17(22-18)23-10-8-21-9-11-23/h2-5,21H,6-12H2,1H3,(H3,19,20)