2-[(3-methoxy-4-phenylmethoxy-phenyl)methyl-methyl-amino]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(3-methoxy-4-phenylmethoxy-phenyl)methyl-methyl-amino]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-[(4-benzyloxy-3-methoxy-phenyl)methyl-methyl-amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-benzoxy-3-methoxy-benzyl)-methyl-amino]-1-[4-(2-thenoyl)piperazino]ethanone Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C27H31N3O4S/c1-28(19-26(31)29-12-14-30(15-13-29)27(32)25-9-6-16-35-25)18-22-10-11-23(24(17-22)33-2)34-20-21-7-4-3-5-8-21/h3-11,16-17H,12-15,18-20H2,1-2H3