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

Systemtic Name: methyl 2-[4-[[4-(4-carbamimidoylphenyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]-2-phenyl-ethanoate Openeye Name: methyl 2-[4-[[4-(4-carbamimidoylphenyl)thiazol-2-yl]amino]-1-piperidyl]-2-phenyl-acetate CAS Name: 2-[4-[[4-(4-carbamimidoylphenyl)-2-thiazolyl]amino]-1-piperidinyl]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[4-[[4-(4-carbamimidoylphenyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]-2-phenylacetate Traditional Name: 2-[4-[[4-(4-amidinophenyl)thiazol-2-yl]amino]piperidino]-2-phenyl-acetic acid methyl ester Formula: C24H27N5O2S MolecularWeight: 449.56848

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)N2CCC(CC2)NC3=NC(=CS3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1)N2CCC(CC2)NC3=NC(=CS3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C24H27N5O2S/c1-31-23(30)21(17-5-3-2-4-6-17)29-13-11-19(12-14-29)27-24-28-20(15-32-24)16-7-9-18(10-8-16)22(25)26/h2-10,15,19,21H,11-14H2,1H3,(H3,25,26)(H,27,28)