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

Systemtic Name: N-tert-butyl-2-[4-[2-[methyl-[(phenylmethyl)carbamothioyl]amino]ethanoyl]piperazin-1-yl]ethanamide Openeye Name: 2-[4-[2-[benzylcarbamothioyl(methyl)amino]acetyl]piperazin-1-yl]-N-tert-butyl-acetamide CAS Name: N-tert-butyl-2-[4-[2-[methyl-[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]-1-oxoethyl]-1-piperazinyl]acetamide IUPAC Name: 2-[4-[2-[benzylcarbamothioyl(methyl)amino]acetyl]piperazin-1-yl]-N-tert-butylacetamide Traditional Name: 2-[4-[2-[benzylthiocarbamoyl(methyl)amino]acetyl]piperazino]-N-tert-butyl-acetamide Formula: C21H33N5O2S MolecularWeight: 419.58402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCN(CC1)C(=O)CN(C)C(=S)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCN(CC1)C(=O)CN(C)C(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C21H33N5O2S/c1-21(2,3)23-18(27)15-25-10-12-26(13-11-25)19(28)16-24(4)20(29)22-14-17-8-6-5-7-9-17/h5-9H,10-16H2,1-4H3,(H,22,29)(H,23,27)