N-(2,3-dimethylphenyl)-2-[4-(2-morpholin-4-ylethylcarbamothioyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-(2-morpholin-4-ylethylcarbamothioyl)piperazin-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-(2-morpholinoethylcarbamothioyl)piperazin-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[[2-(4-morpholinyl)ethylamino]-sulfanylidenemethyl]-1-piperazinyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-(2-morpholin-4-ylethylcarbamothioyl)piperazin-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-(2-morpholinoethylthiocarbamoyl)piperazino]acetamide Formula: C21H33N5O2S MolecularWeight: 419.58402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)C(=S)NCCN3CCOCC3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)C(=S)NCCN3CCOCC3)C

InChI

InChI=1S/C21H33N5O2S/c1-17-4-3-5-19(18(17)2)23-20(27)16-25-8-10-26(11-9-25)21(29)22-6-7-24-12-14-28-15-13-24/h3-5H,6-16H2,1-2H3,(H,22,29)(H,23,27)