2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4-prop-2-ynylpiperazin-1-yl)phenyl]ethanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4-prop-2-ynylpiperazin-1-yl)phenyl]ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4-prop-2-ynylpiperazin-1-yl)phenyl]acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-[2-(4-prop-2-ynyl-1-piperazinyl)phenyl]acetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4-prop-2-ynylpiperazin-1-yl)phenyl]acetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-[2-(4-propargylpiperazino)phenyl]acetamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1CCN(CC1)C2=CC=CC=C2NC(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

C#CCN1CCN(CC1)C2=CC=CC=C2NC(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H22N4O2S/c1-2-11-25-12-14-26(15-13-25)19-9-5-3-7-17(19)23-21(27)16-29-22-24-18-8-4-6-10-20(18)28-22/h1,3-10H,11-16H2,(H,23,27)