3-bromanyl-4-butoxy-N-[[3-(dimethylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[[3-(dimethylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[3-(dimethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[3-[dimethylamino(oxo)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[3-(dimethylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[3-(dimethylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N(C)C)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N(C)C)Br

InChI

InChI=1S/C21H24BrN3O3S/c1-4-5-11-28-18-10-9-14(13-17(18)22)19(26)24-21(29)23-16-8-6-7-15(12-16)20(27)25(2)3/h6-10,12-13H,4-5,11H2,1-3H3,(H2,23,24,26,29)