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

Systemtic Name: 1-[4-[3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]phenyl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-[3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzoyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[3-[[(4-methyl-1,3-benzoxazol-2-yl)thio]methyl]phenyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzoyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[3-[[(4-methyl-1,3-benzoxazol-2-yl)thio]methyl]benzoyl]piperazino]ethanone Formula: C22H23N3O3S MolecularWeight: 409.50132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)OC(=N2)SCC3=CC=CC(=C3)C(=O)N4CCN(CC4)C(=O)C

Isomeric SMILES

CC1=C2C(=CC=C1)OC(=N2)SCC3=CC=CC(=C3)C(=O)N4CCN(CC4)C(=O)C

InChI

InChI=1S/C22H23N3O3S/c1-15-5-3-8-19-20(15)23-22(28-19)29-14-17-6-4-7-18(13-17)21(27)25-11-9-24(10-12-25)16(2)26/h3-8,13H,9-12,14H2,1-2H3