N-[4-(5-butyl-2-ethoxy-phenyl)-1,3-thiazol-2-yl]-4-[[(3S)-1-cyclopropylpiperidin-3-yl]methyl]piperazine-1-carboxamide

Systemtic Name: N-[4-(5-butyl-2-ethoxy-phenyl)-1,3-thiazol-2-yl]-4-[[(3S)-1-cyclopropylpiperidin-3-yl]methyl]piperazine-1-carboxamide Openeye Name: N-[4-(5-butyl-2-ethoxy-phenyl)thiazol-2-yl]-4-[[(3S)-1-cyclopropyl-3-piperidyl]methyl]piperazine-1-carboxamide CAS Name: N-[4-(5-butyl-2-ethoxyphenyl)-2-thiazolyl]-4-[[(3S)-1-cyclopropyl-3-piperidinyl]methyl]-1-piperazinecarboxamide IUPAC Name: N-[4-(5-butyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-[[(3S)-1-cyclopropylpiperidin-3-yl]methyl]piperazine-1-carboxamide Traditional Name: N-[4-(5-butyl-2-ethoxy-phenyl)thiazol-2-yl]-4-[[(3S)-1-cyclopropyl-3-piperidyl]methyl]piperazine-1-carboxamide Formula: C29H43N5O2S MolecularWeight: 525.74902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)OCC)C2=CSC(=N2)NC(=O)N3CCN(CC3)CC4CCCN(C4)C5CC5

Isomeric SMILES

CCCCC1=CC(=C(C=C1)OCC)C2=CSC(=N2)NC(=O)N3CCN(CC3)C[C@@H]4CCCN(C4)C5CC5

InChI

InChI=1S/C29H43N5O2S/c1-3-5-7-22-9-12-27(36-4-2)25(18-22)26-21-37-28(30-26)31-29(35)33-16-14-32(15-17-33)19-23-8-6-13-34(20-23)24-10-11-24/h9,12,18,21,23-24H,3-8,10-11,13-17,19-20H2,1-2H3,(H,30,31,35)/t23-/m0/s1