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

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-[4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]acetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-[4-(4-isobutyrylpiperazino)phenyl]acetamide Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C23H26N4O3S/c1-16(2)22(29)27-13-11-26(12-14-27)18-9-7-17(8-10-18)24-21(28)15-31-23-25-19-5-3-4-6-20(19)30-23/h3-10,16H,11-15H2,1-2H3,(H,24,28)