5-bromanyl-N-[[3-(diethylcarbamoyl)phenyl]carbamothioyl]-2-propoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[3-(diethylcarbamoyl)phenyl]carbamothioyl]-2-propoxy-benzamide Openeye Name: 5-bromo-N-[[3-(diethylcarbamoyl)phenyl]carbamothioyl]-2-propoxy-benzamide CAS Name: 5-bromo-N-[[3-[diethylamino(oxo)methyl]anilino]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[[3-(diethylcarbamoyl)phenyl]carbamothioyl]-2-propoxybenzamide Traditional Name: 5-bromo-N-[[3-(diethylcarbamoyl)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=CC(=C2)C(=O)N(CC)CC

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN3O3S/c1-4-12-29-19-11-10-16(23)14-18(19)20(27)25-22(30)24-17-9-7-8-15(13-17)21(28)26(5-2)6-3/h7-11,13-14H,4-6,12H2,1-3H3,(H2,24,25,27,30)