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

Systemtic Name: N-[4-(5-butyl-2-methoxy-phenyl)-1,3-thiazol-2-yl]-4-[[(3S)-1-cyclopropylpiperidin-3-yl]methyl]piperazine-1-carboxamide Openeye Name: N-[4-(5-butyl-2-methoxy-phenyl)thiazol-2-yl]-4-[[(3S)-1-cyclopropyl-3-piperidyl]methyl]piperazine-1-carboxamide CAS Name: N-[4-(5-butyl-2-methoxyphenyl)-2-thiazolyl]-4-[[(3S)-1-cyclopropyl-3-piperidinyl]methyl]-1-piperazinecarboxamide IUPAC Name: N-[4-(5-butyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-[[(3S)-1-cyclopropylpiperidin-3-yl]methyl]piperazine-1-carboxamide Traditional Name: N-[4-(5-butyl-2-methoxy-phenyl)thiazol-2-yl]-4-[[(3S)-1-cyclopropyl-3-piperidyl]methyl]piperazine-1-carboxamide Formula: C28H41N5O2S MolecularWeight: 511.72244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H41N5O2S/c1-3-4-6-21-8-11-26(35-2)24(17-21)25-20-36-27(29-25)30-28(34)32-15-13-31(14-16-32)18-22-7-5-12-33(19-22)23-9-10-23/h8,11,17,20,22-23H,3-7,9-10,12-16,18-19H2,1-2H3,(H,29,30,34)/t22-/m0/s1