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

Systemtic Name: [4-[2-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl]carbonylpiperazin-1-yl]-(4-methoxyphenyl)methanone Openeye Name: [4-[2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]piperazin-1-yl]-(4-methoxyphenyl)methanone CAS Name: [4-[[2-[(1,3-benzoxazol-2-ylthio)methyl]phenyl]-oxomethyl]-1-piperazinyl]-(4-methoxyphenyl)methanone IUPAC Name: [4-[2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]piperazin-1-yl]-(4-methoxyphenyl)methanone Traditional Name: [4-[2-[(1,3-benzoxazol-2-ylthio)methyl]benzoyl]piperazino]-(4-methoxyphenyl)methanone Formula: C27H25N3O4S MolecularWeight: 487.5701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3CSC4=NC5=CC=CC=C5O4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3CSC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C27H25N3O4S/c1-33-21-12-10-19(11-13-21)25(31)29-14-16-30(17-15-29)26(32)22-7-3-2-6-20(22)18-35-27-28-23-8-4-5-9-24(23)34-27/h2-13H,14-18H2,1H3