N-[(3,5-dimethoxyphenyl)methyl]-2-[(2S)-3-oxidanylidene-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanamide

Systemtic Name: N-[(3,5-dimethoxyphenyl)methyl]-2-[(2S)-3-oxidanylidene-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanamide Openeye Name: N-[(3,5-dimethoxyphenyl)methyl]-2-[(2S)-3-oxo-1-(2-thienylmethyl)piperazin-2-yl]acetamide CAS Name: N-[(3,5-dimethoxyphenyl)methyl]-2-[(2S)-3-oxo-1-(thiophen-2-ylmethyl)-2-piperazinyl]acetamide IUPAC Name: N-[(3,5-dimethoxyphenyl)methyl]-2-[(2S)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide Traditional Name: N-(3,5-dimethoxybenzyl)-2-[(2S)-3-keto-1-(2-thenyl)piperazin-2-yl]acetamide Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CNC(=O)CC2C(=O)NCCN2CC3=CC=CS3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CNC(=O)C[C@H]2C(=O)NCCN2CC3=CC=CS3)OC

InChI

InChI=1S/C20H25N3O4S/c1-26-15-8-14(9-16(10-15)27-2)12-22-19(24)11-18-20(25)21-5-6-23(18)13-17-4-3-7-28-17/h3-4,7-10,18H,5-6,11-13H2,1-2H3,(H,21,25)(H,22,24)/t18-/m0/s1