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

Systemtic Name: N-tert-butyl-2-[4-[2-[methyl-[(2-methylphenyl)carbamothioyl]amino]ethanoyl]piperazin-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-[methyl(o-tolylcarbamothioyl)amino]acetyl]piperazin-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-[methyl-[(2-methylanilino)-sulfanylidenemethyl]amino]-1-oxoethyl]-1-piperazinyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-[methyl-[(2-methylphenyl)carbamothioyl]amino]acetyl]piperazin-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-[methyl(o-tolylthiocarbamoyl)amino]acetyl]piperazino]acetamide Formula: C21H33N5O2S MolecularWeight: 419.58402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N(C)CC(=O)N2CCN(CC2)CC(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N(C)CC(=O)N2CCN(CC2)CC(=O)NC(C)(C)C

InChI

InChI=1S/C21H33N5O2S/c1-16-8-6-7-9-17(16)22-20(29)24(5)15-19(28)26-12-10-25(11-13-26)14-18(27)23-21(2,3)4/h6-9H,10-15H2,1-5H3,(H,22,29)(H,23,27)