3-bromanyl-N-[[3-(2-ethoxyethoxy)phenyl]carbamothioyl]-4-propan-2-yloxy-benzamide

Systemtic Name: 3-bromanyl-N-[[3-(2-ethoxyethoxy)phenyl]carbamothioyl]-4-propan-2-yloxy-benzamide Openeye Name: 3-bromo-N-[[3-(2-ethoxyethoxy)phenyl]carbamothioyl]-4-isopropoxy-benzamide CAS Name: 3-bromo-N-[[3-(2-ethoxyethoxy)anilino]-sulfanylidenemethyl]-4-propan-2-yloxybenzamide IUPAC Name: 3-bromo-N-[[3-(2-ethoxyethoxy)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide Traditional Name: 3-bromo-N-[[3-(2-ethoxyethoxy)phenyl]thiocarbamoyl]-4-isopropoxy-benzamide Formula: C21H25BrN2O4S MolecularWeight: 481.4032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O4S/c1-4-26-10-11-27-17-7-5-6-16(13-17)23-21(29)24-20(25)15-8-9-19(18(22)12-15)28-14(2)3/h5-9,12-14H,4,10-11H2,1-3H3,(H2,23,24,25,29)