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

Systemtic Name: 3-bromanyl-4-hexoxy-N-[methyl-[2-(phenethylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[methyl-[2-(phenethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[N-methyl-2-[oxo-(phenethylamino)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[methyl-[2-(phenethylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[methyl-[2-(phenethylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C30H34BrN3O3S MolecularWeight: 596.57826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NCCC3=CC=CC=C3)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NCCC3=CC=CC=C3)Br

InChI

InChI=1S/C30H34BrN3O3S/c1-3-4-5-11-20-37-27-17-16-23(21-25(27)31)28(35)33-30(38)34(2)26-15-10-9-14-24(26)29(36)32-19-18-22-12-7-6-8-13-22/h6-10,12-17,21H,3-5,11,18-20H2,1-2H3,(H,32,36)(H,33,35,38)