1-[4-[2-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-[4-[2-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-[2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[2-[(1,3-benzoxazol-2-ylthio)methyl]phenyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[2-[(1,3-benzoxazol-2-ylthio)methyl]benzoyl]piperazino]ethanone Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H21N3O3S/c1-15(25)23-10-12-24(13-11-23)20(26)17-7-3-2-6-16(17)14-28-21-22-18-8-4-5-9-19(18)27-21/h2-9H,10-14H2,1H3