5-bromanyl-N-[[3-(2-ethoxyethoxy)phenyl]carbamothioyl]-2-(3-methylbutoxy)benzamide

Systemtic Name: 5-bromanyl-N-[[3-(2-ethoxyethoxy)phenyl]carbamothioyl]-2-(3-methylbutoxy)benzamide Openeye Name: 5-bromo-N-[[3-(2-ethoxyethoxy)phenyl]carbamothioyl]-2-isopentyloxy-benzamide CAS Name: 5-bromo-N-[[3-(2-ethoxyethoxy)anilino]-sulfanylidenemethyl]-2-(3-methylbutoxy)benzamide IUPAC Name: 5-bromo-N-[[3-(2-ethoxyethoxy)phenyl]carbamothioyl]-2-(3-methylbutoxy)benzamide Traditional Name: 5-bromo-N-[[3-(2-ethoxyethoxy)phenyl]thiocarbamoyl]-2-isoamoxy-benzamide Formula: C23H29BrN2O4S MolecularWeight: 509.45636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC(C)C

Isomeric SMILES

CCOCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC(C)C

InChI

InChI=1S/C23H29BrN2O4S/c1-4-28-12-13-29-19-7-5-6-18(15-19)25-23(31)26-22(27)20-14-17(24)8-9-21(20)30-11-10-16(2)3/h5-9,14-16H,4,10-13H2,1-3H3,(H2,25,26,27,31)