2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]ethanone Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]ethanone CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]ethanone Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-1-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazino]ethanone Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4O3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CN2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4O3)OC)OC

InChI

InChI=1S/C23H27N3O4S/c1-16-12-20(28-2)21(29-3)13-17(16)14-25-8-10-26(11-9-25)22(27)15-31-23-24-18-6-4-5-7-19(18)30-23/h4-7,12-13H,8-11,14-15H2,1-3H3