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

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[2-[(3-methoxypropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[[2-(3-methoxypropylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C25H32BrN3O4S MolecularWeight: 550.50828

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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)NCCCOC)Br

Isomeric SMILES

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

InChI

InChI=1S/C25H32BrN3O4S/c1-3-4-5-8-16-33-22-13-12-18(17-20(22)26)23(30)29-25(34)28-21-11-7-6-10-19(21)24(31)27-14-9-15-32-2/h6-7,10-13,17H,3-5,8-9,14-16H2,1-2H3,(H,27,31)(H2,28,29,30,34)