3-bromanyl-4-butoxy-N-[[4-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[[4-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[4-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[4-[(2-methoxyethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[4-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[4-(2-methoxyethylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C22H26BrN3O4S MolecularWeight: 508.42854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN3O4S/c1-3-4-12-30-19-10-7-16(14-18(19)23)21(28)26-22(31)25-17-8-5-15(6-9-17)20(27)24-11-13-29-2/h5-10,14H,3-4,11-13H2,1-2H3,(H,24,27)(H2,25,26,28,31)