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

Systemtic Name: N-(2,5-dimethoxyphenyl)-2-[(2S)-3-oxidanylidene-1-(phenylcarbamothioyl)piperazin-2-yl]ethanamide Openeye Name: N-(2,5-dimethoxyphenyl)-2-[(2S)-3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetamide CAS Name: 2-[(2S)-1-[anilino(sulfanylidene)methyl]-3-oxo-2-piperazinyl]-N-(2,5-dimethoxyphenyl)acetamide IUPAC Name: N-(2,5-dimethoxyphenyl)-2-[(2S)-3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetamide Traditional Name: N-(2,5-dimethoxyphenyl)-2-[(2S)-3-keto-1-(phenylthiocarbamoyl)piperazin-2-yl]acetamide Formula: C21H24N4O4S MolecularWeight: 428.50466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)CC2C(=O)NCCN2C(=S)NC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)C[C@H]2C(=O)NCCN2C(=S)NC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O4S/c1-28-15-8-9-18(29-2)16(12-15)24-19(26)13-17-20(27)22-10-11-25(17)21(30)23-14-6-4-3-5-7-14/h3-9,12,17H,10-11,13H2,1-2H3,(H,22,27)(H,23,30)(H,24,26)/t17-/m0/s1