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

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[2-(phenylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[2-(phenylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: N-[[2-[anilino(oxo)methyl]anilino]-sulfanylidenemethyl]-3-bromo-4-hexoxybenzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[2-(phenylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[[2-(phenylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C27H28BrN3O3S MolecularWeight: 554.49852

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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)NC3=CC=CC=C3)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3)Br

InChI

InChI=1S/C27H28BrN3O3S/c1-2-3-4-10-17-34-24-16-15-19(18-22(24)28)25(32)31-27(35)30-23-14-9-8-13-21(23)26(33)29-20-11-6-5-7-12-20/h5-9,11-16,18H,2-4,10,17H2,1H3,(H,29,33)(H2,30,31,32,35)