5-bromanyl-N-[[3-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-2-methoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[3-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-2-methoxy-N-[[3-(sec-butylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-N-[[3-[(butan-2-ylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[[3-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-2-methoxy-N-[[3-(sec-butylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C20H22BrN3O3S MolecularWeight: 464.37598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CCC(C)NC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C20H22BrN3O3S/c1-4-12(2)22-18(25)13-6-5-7-15(10-13)23-20(28)24-19(26)16-11-14(21)8-9-17(16)27-3/h5-12H,4H2,1-3H3,(H,22,25)(H2,23,24,26,28)