4-tert-butyl-N-[[2-(cyclohexylcarbonylamino)ethanoylamino]carbamothioyl]benzamide

Systemtic Name: 4-tert-butyl-N-[[2-(cyclohexylcarbonylamino)ethanoylamino]carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[[[2-(cyclohexanecarbonylamino)acetyl]amino]carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[[2-[[cyclohexyl(oxo)methyl]amino]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[[[2-(cyclohexanecarbonylamino)acetyl]amino]carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[[[2-(cyclohexanecarbonylamino)acetyl]amino]thiocarbamoyl]benzamide Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CNC(=O)C2CCCCC2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CNC(=O)C2CCCCC2

InChI

InChI=1S/C21H30N4O3S/c1-21(2,3)16-11-9-15(10-12-16)19(28)23-20(29)25-24-17(26)13-22-18(27)14-7-5-4-6-8-14/h9-12,14H,4-8,13H2,1-3H3,(H,22,27)(H,24,26)(H2,23,25,28,29)