1-[4-[2-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl]carbonylpiperazin-1-yl]-2-methyl-propan-1-one

Systemtic Name: 1-[4-[2-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl]carbonylpiperazin-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[4-[2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]piperazin-1-yl]-2-methyl-propan-1-one CAS Name: 1-[4-[[2-[(1,3-benzoxazol-2-ylthio)methyl]phenyl]-oxomethyl]-1-piperazinyl]-2-methyl-1-propanone IUPAC Name: 1-[4-[2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]piperazin-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-[2-[(1,3-benzoxazol-2-ylthio)methyl]benzoyl]piperazino]-2-methyl-propan-1-one Formula: C23H25N3O3S MolecularWeight: 423.5279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O3S/c1-16(2)21(27)25-11-13-26(14-12-25)22(28)18-8-4-3-7-17(18)15-30-23-24-19-9-5-6-10-20(19)29-23/h3-10,16H,11-15H2,1-2H3