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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC(=O)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C23H30N4OS/c1-4-19-8-10-20(11-9-19)24-23(29)27-14-12-26(13-15-27)16-21(28)25-22-17(2)6-5-7-18(22)3/h5-11H,4,12-16H2,1-3H3,(H,24,29)(H,25,28)