5-bromanyl-N-[[4-(butylcarbamoyl)phenyl]carbamothioyl]-2-hexoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[4-(butylcarbamoyl)phenyl]carbamothioyl]-2-hexoxy-benzamide Openeye Name: 5-bromo-N-[[4-(butylcarbamoyl)phenyl]carbamothioyl]-2-hexoxy-benzamide CAS Name: 5-bromo-N-[[4-[butylamino(oxo)methyl]anilino]-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: 5-bromo-N-[[4-(butylcarbamoyl)phenyl]carbamothioyl]-2-hexoxybenzamide Traditional Name: 5-bromo-N-[[4-(butylcarbamoyl)phenyl]thiocarbamoyl]-2-hexoxy-benzamide Formula: C25H32BrN3O3S MolecularWeight: 534.50888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCCCC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCCCC

InChI

InChI=1S/C25H32BrN3O3S/c1-3-5-7-8-16-32-22-14-11-19(26)17-21(22)24(31)29-25(33)28-20-12-9-18(10-13-20)23(30)27-15-6-4-2/h9-14,17H,3-8,15-16H2,1-2H3,(H,27,30)(H2,28,29,31,33)