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

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[2-(2-phenoxyethoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[[2-(2-phenoxyethoxy)phenyl]thiocarbamoyl]benzamide Formula: C28H31BrN2O4S MolecularWeight: 571.52574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2OCCOC3=CC=CC=C3)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2OCCOC3=CC=CC=C3)Br

InChI

InChI=1S/C28H31BrN2O4S/c1-2-3-4-10-17-34-25-16-15-21(20-23(25)29)27(32)31-28(36)30-24-13-8-9-14-26(24)35-19-18-33-22-11-6-5-7-12-22/h5-9,11-16,20H,2-4,10,17-19H2,1H3,(H2,30,31,32,36)