3-bromanyl-N-[[3-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]-4-phenethyloxy-benzamide

Systemtic Name: 3-bromanyl-N-[[3-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 3-bromo-4-phenethyloxy-N-[[3-(tetrahydrofuran-2-ylmethoxy)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[3-(2-oxolanylmethoxy)anilino]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[[3-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-4-phenethyloxy-N-[[3-(tetrahydrofurfuryloxy)phenyl]thiocarbamoyl]benzamide Formula: C27H27BrN2O4S MolecularWeight: 555.48328

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)COC2=CC=CC(=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)OCCC4=CC=CC=C4)Br

Isomeric SMILES

C1CC(OC1)COC2=CC=CC(=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)OCCC4=CC=CC=C4)Br

InChI

InChI=1S/C27H27BrN2O4S/c28-24-16-20(11-12-25(24)33-15-13-19-6-2-1-3-7-19)26(31)30-27(35)29-21-8-4-9-22(17-21)34-18-23-10-5-14-32-23/h1-4,6-9,11-12,16-17,23H,5,10,13-15,18H2,(H2,29,30,31,35)