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

Systemtic Name: 5-bromanyl-N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-2-phenethyloxy-N-[[4-(tetrahydrofuran-2-ylmethoxy)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-N-[[4-(2-oxolanylmethoxy)anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-2-phenethyloxy-N-[[4-(tetrahydrofurfuryloxy)phenyl]thiocarbamoyl]benzamide Formula: C27H27BrN2O4S MolecularWeight: 555.48328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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