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

Systemtic Name: ethyl 3-[[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-piperidin-4-yl-amino]propanoate dihydrochloride Openeye Name: ethyl 3-[[4-(4-cyanophenyl)thiazol-2-yl]-(4-piperidyl)amino]propanoate dihydrochloride CAS Name: 3-[[4-(4-cyanophenyl)-2-thiazolyl]-(4-piperidinyl)amino]propanoic acid ethyl ester dihydrochloride IUPAC Name: ethyl 3-[[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-piperidin-4-ylamino]propanoate dihydrochloride Traditional Name: 3-[[4-(4-cyanophenyl)thiazol-2-yl]-(4-piperidyl)amino]propionic acid ethyl ester dihydrochloride Formula: C20H26Cl2N4O2S MolecularWeight: 457.41704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1CCNCC1)C2=NC(=CS2)C3=CC=C(C=C3)C#N.Cl.Cl

Isomeric SMILES

CCOC(=O)CCN(C1CCNCC1)C2=NC(=CS2)C3=CC=C(C=C3)C#N.Cl.Cl

InChI

InChI=1S/C20H24N4O2S.2ClH/c1-2-26-19(25)9-12-24(17-7-10-22-11-8-17)20-23-18(14-27-20)16-5-3-15(13-21)4-6-16;;/h3-6,14,17,22H,2,7-12H2,1H3;2*1H