N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-yl-propan-2-yl]-2,3-dimethoxy-benzamide

Systemtic Name: N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-yl-propan-2-yl]-2,3-dimethoxy-benzamide Openeye Name: N-[(1S,2R)-2-(4-ethylpiperazin-1-yl)-1-methyl-2-(2-thienyl)ethyl]-2,3-dimethoxy-benzamide CAS Name: N-[(1R,2S)-1-(4-ethyl-1-piperazinyl)-1-thiophen-2-ylpropan-2-yl]-2,3-dimethoxybenzamide IUPAC Name: N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2,3-dimethoxybenzamide Traditional Name: N-[(1S,2R)-2-(4-ethylpiperazino)-1-methyl-2-(2-thienyl)ethyl]-2,3-dimethoxy-benzamide Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(C2=CC=CS2)C(C)NC(=O)C3=C(C(=CC=C3)OC)OC

Isomeric SMILES

CCN1CCN(CC1)[C@@H](C2=CC=CS2)[C@H](C)NC(=O)C3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C22H31N3O3S/c1-5-24-11-13-25(14-12-24)20(19-10-7-15-29-19)16(2)23-22(26)17-8-6-9-18(27-3)21(17)28-4/h6-10,15-16,20H,5,11-14H2,1-4H3,(H,23,26)/t16-,20+/m0/s1