N-tert-butyl-2-[4-[(2,5-dimethylphenyl)carbamothioyl]piperazin-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[(2,5-dimethylphenyl)carbamothioyl]piperazin-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[(2,5-dimethylphenyl)carbamothioyl]piperazin-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(2,5-dimethylanilino)-sulfanylidenemethyl]-1-piperazinyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[(2,5-dimethylphenyl)carbamothioyl]piperazin-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[(2,5-dimethylphenyl)thiocarbamoyl]piperazino]acetamide Formula: C19H30N4OS MolecularWeight: 362.5327

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)CC(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)CC(=O)NC(C)(C)C

InChI

InChI=1S/C19H30N4OS/c1-14-6-7-15(2)16(12-14)20-18(25)23-10-8-22(9-11-23)13-17(24)21-19(3,4)5/h6-7,12H,8-11,13H2,1-5H3,(H,20,25)(H,21,24)