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

Systemtic Name: ethyl 2-[4-[[4-(4-carbamimidoylphenyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]-2-methyl-propanoate Openeye Name: ethyl 2-[4-[[4-(4-carbamimidoylphenyl)thiazol-2-yl]amino]-1-piperidyl]-2-methyl-propanoate CAS Name: 2-[4-[[4-(4-carbamimidoylphenyl)-2-thiazolyl]amino]-1-piperidinyl]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[4-[[4-(4-carbamimidoylphenyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]-2-methylpropanoate Traditional Name: 2-[4-[[4-(4-amidinophenyl)thiazol-2-yl]amino]piperidino]-2-methyl-propionic acid ethyl ester Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O2S/c1-4-28-19(27)21(2,3)26-11-9-16(10-12-26)24-20-25-17(13-29-20)14-5-7-15(8-6-14)18(22)23/h5-8,13,16H,4,9-12H2,1-3H3,(H3,22,23)(H,24,25)