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

Systemtic Name: N-[[3-(tert-butylcarbamoyl)phenyl]carbamothioyl]-2-ethoxy-benzamide Openeye Name: N-[[3-(tert-butylcarbamoyl)phenyl]carbamothioyl]-2-ethoxy-benzamide CAS Name: N-[[3-[(tert-butylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-ethoxybenzamide IUPAC Name: N-[[3-(tert-butylcarbamoyl)phenyl]carbamothioyl]-2-ethoxybenzamide Traditional Name: N-[[3-(tert-butylcarbamoyl)phenyl]thiocarbamoyl]-2-ethoxy-benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC(C)(C)C

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC(C)(C)C

InChI

InChI=1S/C21H25N3O3S/c1-5-27-17-12-7-6-11-16(17)19(26)23-20(28)22-15-10-8-9-14(13-15)18(25)24-21(2,3)4/h6-13H,5H2,1-4H3,(H,24,25)(H2,22,23,26,28)