5-bromanyl-N-[[4-(tert-butylcarbamoyl)phenyl]carbamothioyl]-2-propoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[4-(tert-butylcarbamoyl)phenyl]carbamothioyl]-2-propoxy-benzamide Openeye Name: 5-bromo-N-[[4-(tert-butylcarbamoyl)phenyl]carbamothioyl]-2-propoxy-benzamide CAS Name: 5-bromo-N-[[4-[(tert-butylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[[4-(tert-butylcarbamoyl)phenyl]carbamothioyl]-2-propoxybenzamide Traditional Name: 5-bromo-N-[[4-(tert-butylcarbamoyl)phenyl]thiocarbamoyl]-2-propoxy-benzamide Formula: C22H26BrN3O3S MolecularWeight: 492.42914

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NC(C)(C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NC(C)(C)C

InChI

InChI=1S/C22H26BrN3O3S/c1-5-12-29-18-11-8-15(23)13-17(18)20(28)25-21(30)24-16-9-6-14(7-10-16)19(27)26-22(2,3)4/h6-11,13H,5,12H2,1-4H3,(H,26,27)(H2,24,25,28,30)