2-[(2-methoxy-5-methyl-phenyl)methyl-methyl-amino]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(2-methoxy-5-methyl-phenyl)methyl-methyl-amino]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-[(2-methoxy-5-methyl-phenyl)methyl-methyl-amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[(2-methoxy-5-methyl-benzyl)-methyl-amino]-1-[4-(2-thenoyl)piperazino]ethanone Formula: C21H27N3O3S MolecularWeight: 401.52238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CN(C)CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CN(C)CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C21H27N3O3S/c1-16-6-7-18(27-3)17(13-16)14-22(2)15-20(25)23-8-10-24(11-9-23)21(26)19-5-4-12-28-19/h4-7,12-13H,8-11,14-15H2,1-3H3