N-tert-butyl-2-(3-cyclohexylpropanoylcarbamothioylamino)benzamide

Systemtic Name: N-tert-butyl-2-(3-cyclohexylpropanoylcarbamothioylamino)benzamide Openeye Name: N-tert-butyl-2-(3-cyclohexylpropanoylcarbamothioylamino)benzamide CAS Name: N-tert-butyl-2-[[[(3-cyclohexyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-tert-butyl-2-(3-cyclohexylpropanoylcarbamothioylamino)benzamide Traditional Name: N-tert-butyl-2-(3-cyclohexylpropanoylthiocarbamoylamino)benzamide Formula: C21H31N3O2S MolecularWeight: 389.55474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)CCC2CCCCC2

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)CCC2CCCCC2

InChI

InChI=1S/C21H31N3O2S/c1-21(2,3)24-19(26)16-11-7-8-12-17(16)22-20(27)23-18(25)14-13-15-9-5-4-6-10-15/h7-8,11-12,15H,4-6,9-10,13-14H2,1-3H3,(H,24,26)(H2,22,23,25,27)