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

Systemtic Name: 3-bromanyl-N-[[2-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[2-(sec-butylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[2-[(butan-2-ylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[[2-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-4-hexoxy-N-[[2-(sec-butylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C25H32BrN3O3S MolecularWeight: 534.50888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC(C)CC)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC(C)CC)Br

InChI

InChI=1S/C25H32BrN3O3S/c1-4-6-7-10-15-32-22-14-13-18(16-20(22)26)23(30)29-25(33)28-21-12-9-8-11-19(21)24(31)27-17(3)5-2/h8-9,11-14,16-17H,4-7,10,15H2,1-3H3,(H,27,31)(H2,28,29,30,33)