N-[[3-(tert-butylcarbamoyl)phenyl]carbamothioyl]-2-hexoxy-benzamide

Systemtic Name: N-[[3-(tert-butylcarbamoyl)phenyl]carbamothioyl]-2-hexoxy-benzamide Openeye Name: N-[[3-(tert-butylcarbamoyl)phenyl]carbamothioyl]-2-hexoxy-benzamide CAS Name: N-[[3-[(tert-butylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: N-[[3-(tert-butylcarbamoyl)phenyl]carbamothioyl]-2-hexoxybenzamide Traditional Name: N-[[3-(tert-butylcarbamoyl)phenyl]thiocarbamoyl]-2-hexoxy-benzamide Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC(C)(C)C

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC(C)(C)C

InChI

InChI=1S/C25H33N3O3S/c1-5-6-7-10-16-31-21-15-9-8-14-20(21)23(30)27-24(32)26-19-13-11-12-18(17-19)22(29)28-25(2,3)4/h8-9,11-15,17H,5-7,10,16H2,1-4H3,(H,28,29)(H2,26,27,30,32)