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

Systemtic Name: N-tert-butyl-2-[4-[2-[(2,5-dimethylphenyl)carbamothioyl-methyl-amino]ethanoyl]piperazin-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-[(2,5-dimethylphenyl)carbamothioyl-methyl-amino]acetyl]piperazin-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-[[(2,5-dimethylanilino)-sulfanylidenemethyl]-methylamino]-1-oxoethyl]-1-piperazinyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-[(2,5-dimethylphenyl)carbamothioyl-methylamino]acetyl]piperazin-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-[(2,5-dimethylphenyl)thiocarbamoyl-methyl-amino]acetyl]piperazino]acetamide Formula: C22H35N5O2S MolecularWeight: 433.6106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N5O2S/c1-16-7-8-17(2)18(13-16)23-21(30)25(6)15-20(29)27-11-9-26(10-12-27)14-19(28)24-22(3,4)5/h7-8,13H,9-12,14-15H2,1-6H3,(H,23,30)(H,24,28)