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

Systemtic Name: methyl 2-[[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-[1-(phenylmethyl)piperidin-4-yl]amino]ethanoate Openeye Name: methyl 2-[(1-benzyl-4-piperidyl)-[4-(4-cyanophenyl)thiazol-2-yl]amino]acetate CAS Name: 2-[[4-(4-cyanophenyl)-2-thiazolyl]-[1-(phenylmethyl)-4-piperidinyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[(1-benzylpiperidin-4-yl)-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]amino]acetate Traditional Name: 2-[(1-benzyl-4-piperidyl)-[4-(4-cyanophenyl)thiazol-2-yl]amino]acetic acid methyl ester Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN(C1CCN(CC1)CC2=CC=CC=C2)C3=NC(=CS3)C4=CC=C(C=C4)C#N

Isomeric SMILES

COC(=O)CN(C1CCN(CC1)CC2=CC=CC=C2)C3=NC(=CS3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H26N4O2S/c1-31-24(30)17-29(22-11-13-28(14-12-22)16-20-5-3-2-4-6-20)25-27-23(18-32-25)21-9-7-19(15-26)8-10-21/h2-10,18,22H,11-14,16-17H2,1H3