N-[3-(3-cyclohexylpropanoylcarbamothioylamino)phenyl]-2,2-dimethyl-propanamide

Systemtic Name: N-[3-(3-cyclohexylpropanoylcarbamothioylamino)phenyl]-2,2-dimethyl-propanamide Openeye Name: N-[3-(3-cyclohexylpropanoylcarbamothioylamino)phenyl]-2,2-dimethyl-propanamide CAS Name: N-[3-[[[(3-cyclohexyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]phenyl]-2,2-dimethylpropanamide IUPAC Name: N-[3-(3-cyclohexylpropanoylcarbamothioylamino)phenyl]-2,2-dimethylpropanamide Traditional Name: N-[3-(3-cyclohexylpropanoylthiocarbamoylamino)phenyl]-2,2-dimethyl-propionamide Formula: C21H31N3O2S MolecularWeight: 389.55474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)CCC2CCCCC2

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)CCC2CCCCC2

InChI

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