3-bromanyl-N-[[3-(diethylcarbamoyl)phenyl]carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[3-(diethylcarbamoyl)phenyl]carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[[3-(diethylcarbamoyl)phenyl]carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[[3-[diethylamino(oxo)methyl]anilino]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[[3-(diethylcarbamoyl)phenyl]carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[[3-(diethylcarbamoyl)phenyl]thiocarbamoyl]-4-hexoxy-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(=C2)C(=O)N(CC)CC)Br

Isomeric SMILES

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

InChI

InChI=1S/C25H32BrN3O3S/c1-4-7-8-9-15-32-22-14-13-18(17-21(22)26)23(30)28-25(33)27-20-12-10-11-19(16-20)24(31)29(5-2)6-3/h10-14,16-17H,4-9,15H2,1-3H3,(H2,27,28,30,33)