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

Systemtic Name: 3-bromanyl-N-[[4-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-4-butoxy-benzamide Openeye Name: 3-bromo-4-butoxy-N-[[4-(sec-butylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[4-[(butan-2-ylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-butoxybenzamide IUPAC Name: 3-bromo-N-[[4-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-4-butoxybenzamide Traditional Name: 3-bromo-4-butoxy-N-[[4-(sec-butylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C23H28BrN3O3S MolecularWeight: 506.45572

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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)NC(C)CC)Br

Isomeric SMILES

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

InChI

InChI=1S/C23H28BrN3O3S/c1-4-6-13-30-20-12-9-17(14-19(20)24)22(29)27-23(31)26-18-10-7-16(8-11-18)21(28)25-15(3)5-2/h7-12,14-15H,4-6,13H2,1-3H3,(H,25,28)(H2,26,27,29,31)