2-[(4,5-dimethoxy-2-methyl-phenyl)methyl-methyl-amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(4,5-dimethoxy-2-methyl-phenyl)methyl-methyl-amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-[(4,5-dimethoxy-2-methyl-phenyl)methyl-methyl-amino]-1-[4-(2-thienylmethyl)piperazin-1-yl]ethanone CAS Name: 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-1-[4-(thiophen-2-ylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4,5-dimethoxy-2-methyl-benzyl)-methyl-amino]-1-[4-(2-thenyl)piperazino]ethanone Formula: C22H31N3O3S MolecularWeight: 417.56484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN(C)CC(=O)N2CCN(CC2)CC3=CC=CS3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CN(C)CC(=O)N2CCN(CC2)CC3=CC=CS3)OC)OC

InChI

InChI=1S/C22H31N3O3S/c1-17-12-20(27-3)21(28-4)13-18(17)14-23(2)16-22(26)25-9-7-24(8-10-25)15-19-6-5-11-29-19/h5-6,11-13H,7-10,14-16H2,1-4H3