3-(3-ethanoylphenyl)-1-(pyridin-3-ylmethyl)-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea

Systemtic Name: 3-(3-ethanoylphenyl)-1-(pyridin-3-ylmethyl)-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea Openeye Name: 3-(3-acetylphenyl)-1-(3-pyridylmethyl)-1-[1-[2-(2-thienyl)ethyl]-4-piperidyl]urea CAS Name: 3-(3-acetylphenyl)-1-(3-pyridinylmethyl)-1-[1-(2-thiophen-2-ylethyl)-4-piperidinyl]urea IUPAC Name: 3-(3-acetylphenyl)-1-(pyridin-3-ylmethyl)-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea Traditional Name: 3-(3-acetylphenyl)-1-(3-pyridylmethyl)-1-[1-[2-(2-thienyl)ethyl]-4-piperidyl]urea Formula: C26H30N4O2S MolecularWeight: 462.607

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)N(CC2=CN=CC=C2)C3CCN(CC3)CCC4=CC=CS4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)N(CC2=CN=CC=C2)C3CCN(CC3)CCC4=CC=CS4

InChI

InChI=1S/C26H30N4O2S/c1-20(31)22-6-2-7-23(17-22)28-26(32)30(19-21-5-3-12-27-18-21)24-9-13-29(14-10-24)15-11-25-8-4-16-33-25/h2-8,12,16-18,24H,9-11,13-15,19H2,1H3,(H,28,32)