N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-4-sulfanyl-3-(2-thiophen-2-ylethanoylamino)butanamide

Systemtic Name: N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-4-sulfanyl-3-(2-thiophen-2-ylethanoylamino)butanamide Openeye Name: N-[3-[3-(1-piperidylmethyl)phenoxy]propyl]-4-sulfanyl-3-[[2-(2-thienyl)acetyl]amino]butanamide CAS Name: 4-mercapto-3-[(1-oxo-2-thiophen-2-ylethyl)amino]-N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]butanamide IUPAC Name: N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-4-sulfanyl-3-[(2-thiophen-2-ylacetyl)amino]butanamide Traditional Name: 4-mercapto-N-[3-[3-(piperidinomethyl)phenoxy]propyl]-3-[[2-(2-thienyl)acetyl]amino]butyramide Formula: C25H35N3O3S2 MolecularWeight: 489.6937

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)CC(CS)NC(=O)CC3=CC=CS3

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)CC(CS)NC(=O)CC3=CC=CS3

InChI

InChI=1S/C25H35N3O3S2/c29-24(16-21(19-32)27-25(30)17-23-9-5-14-33-23)26-10-6-13-31-22-8-4-7-20(15-22)18-28-11-2-1-3-12-28/h4-5,7-9,14-15,21,32H,1-3,6,10-13,16-19H2,(H,26,29)(H,27,30)