N-[2-[2-oxidanylidene-2-[[(E)-4-[3-(piperidin-1-ylmethyl)phenoxy]but-2-enyl]amino]ethyl]sulfanylethyl]benzamide

Systemtic Name: N-[2-[2-oxidanylidene-2-[[(E)-4-[3-(piperidin-1-ylmethyl)phenoxy]but-2-enyl]amino]ethyl]sulfanylethyl]benzamide Openeye Name: N-[2-[2-oxo-2-[[(E)-4-[3-(1-piperidylmethyl)phenoxy]but-2-enyl]amino]ethyl]sulfanylethyl]benzamide CAS Name: N-[2-[[2-oxo-2-[[(E)-4-[3-(1-piperidinylmethyl)phenoxy]but-2-enyl]amino]ethyl]thio]ethyl]benzamide IUPAC Name: N-[2-[2-oxo-2-[[(E)-4-[3-(piperidin-1-ylmethyl)phenoxy]but-2-enyl]amino]ethyl]sulfanylethyl]benzamide Traditional Name: N-[2-[[2-keto-2-[[(E)-4-[3-(piperidinomethyl)phenoxy]but-2-enyl]amino]ethyl]thio]ethyl]benzamide Formula: C27H35N3O3S MolecularWeight: 481.6501

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC=C2)OCC=CCNC(=O)CSCCNC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC=C2)OC/C=C/CNC(=O)CSCCNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H35N3O3S/c31-26(22-34-19-15-29-27(32)24-11-3-1-4-12-24)28-14-5-8-18-33-25-13-9-10-23(20-25)21-30-16-6-2-7-17-30/h1,3-5,8-13,20H,2,6-7,14-19,21-22H2,(H,28,31)(H,29,32)/b8-5+