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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)COC2=CC=CC=C2NC(=S)NC(=O)C3=CC(=C(C=C3)OCCC4=CC=CC=C4)Br

Isomeric SMILES

C1CC(OC1)COC2=CC=CC=C2NC(=S)NC(=O)C3=CC(=C(C=C3)OCCC4=CC=CC=C4)Br

InChI

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