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

Systemtic Name: ethyl 2-[4-[[4-(4-carbamimidoylphenyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]propanoate Openeye Name: ethyl 2-[4-[[4-(4-carbamimidoylphenyl)thiazol-2-yl]amino]-1-piperidyl]propanoate CAS Name: 2-[4-[[4-(4-carbamimidoylphenyl)-2-thiazolyl]amino]-1-piperidinyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-[4-[[4-(4-carbamimidoylphenyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]propanoate Traditional Name: 2-[4-[[4-(4-amidinophenyl)thiazol-2-yl]amino]piperidino]propionic acid ethyl ester Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)N1CCC(CC1)NC2=NC(=CS2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC(=O)C(C)N1CCC(CC1)NC2=NC(=CS2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H27N5O2S/c1-3-27-19(26)13(2)25-10-8-16(9-11-25)23-20-24-17(12-28-20)14-4-6-15(7-5-14)18(21)22/h4-7,12-13,16H,3,8-11H2,1-2H3,(H3,21,22)(H,23,24)