N-(2,6-dimethylphenyl)-2-[4-(phenethylcarbamothioyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(phenethylcarbamothioyl)piperazin-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(phenethylcarbamothioyl)piperazin-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[(phenethylamino)-sulfanylidenemethyl]-1-piperazinyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(phenethylcarbamothioyl)piperazin-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-(phenethylthiocarbamoyl)piperazino]acetamide Formula: C23H30N4OS MolecularWeight: 410.5755

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H30N4OS/c1-18-7-6-8-19(2)22(18)25-21(28)17-26-13-15-27(16-14-26)23(29)24-12-11-20-9-4-3-5-10-20/h3-10H,11-17H2,1-2H3,(H,24,29)(H,25,28)