2-(1,3-benzoxazol-2-ylsulfanyl)-N-[5-chloranyl-2-(4-ethylpiperazin-1-yl)phenyl]ethanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[5-chloranyl-2-(4-ethylpiperazin-1-yl)phenyl]ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-[5-chloro-2-(4-ethyl-1-piperazinyl)phenyl]acetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]acetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-[5-chloro-2-(4-ethylpiperazino)phenyl]acetamide Formula: C21H23ClN4O2S MolecularWeight: 430.95092

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H23ClN4O2S/c1-2-25-9-11-26(12-10-25)18-8-7-15(22)13-17(18)23-20(27)14-29-21-24-16-5-3-4-6-19(16)28-21/h3-8,13H,2,9-12,14H2,1H3,(H,23,27)