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

Systemtic Name: 3-bromanyl-4-butoxy-N-[methyl-[2-(phenethylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[methyl-[2-(phenethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[N-methyl-2-[oxo-(phenethylamino)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[methyl-[2-(phenethylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[methyl-[2-(phenethylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C28H30BrN3O3S MolecularWeight: 568.5251

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NCCC3=CC=CC=C3)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NCCC3=CC=CC=C3)Br

InChI

InChI=1S/C28H30BrN3O3S/c1-3-4-18-35-25-15-14-21(19-23(25)29)26(33)31-28(36)32(2)24-13-9-8-12-22(24)27(34)30-17-16-20-10-6-5-7-11-20/h5-15,19H,3-4,16-18H2,1-2H3,(H,30,34)(H,31,33,36)