5-bromanyl-N-[[2-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-2-propoxy-benzamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC(C)CC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC(C)CC

InChI

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