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

Systemtic Name: ethyl 4-[[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-piperidin-4-yl-amino]butanoate Openeye Name: ethyl 4-[[4-(4-cyanophenyl)thiazol-2-yl]-(4-piperidyl)amino]butanoate CAS Name: 4-[[4-(4-cyanophenyl)-2-thiazolyl]-(4-piperidinyl)amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-piperidin-4-ylamino]butanoate Traditional Name: 4-[[4-(4-cyanophenyl)thiazol-2-yl]-(4-piperidyl)amino]butyric acid ethyl ester Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN(C1CCNCC1)C2=NC(=CS2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC(=O)CCCN(C1CCNCC1)C2=NC(=CS2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H26N4O2S/c1-2-27-20(26)4-3-13-25(18-9-11-23-12-10-18)21-24-19(15-28-21)17-7-5-16(14-22)6-8-17/h5-8,15,18,23H,2-4,9-13H2,1H3