5-bromanyl-2-ethoxy-N-[methyl-[2-(phenethylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-ethoxy-N-[methyl-[2-(phenethylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-ethoxy-N-[methyl-[2-(phenethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-ethoxy-N-[[N-methyl-2-[oxo-(phenethylamino)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-ethoxy-N-[methyl-[2-(phenethylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-ethoxy-N-[methyl-[2-(phenethylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C26H26BrN3O3S MolecularWeight: 540.47194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C26H26BrN3O3S/c1-3-33-23-14-13-19(27)17-21(23)25(32)29-26(34)30(2)22-12-8-7-11-20(22)24(31)28-16-15-18-9-5-4-6-10-18/h4-14,17H,3,15-16H2,1-2H3,(H,28,31)(H,29,32,34)