5-bromanyl-2-phenethyloxy-N-[(2-pyrrolidin-1-ylcarbonylphenyl)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-phenethyloxy-N-[(2-pyrrolidin-1-ylcarbonylphenyl)carbamothioyl]benzamide Openeye Name: 5-bromo-2-phenethyloxy-N-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-N-[[2-[oxo(1-pyrrolidinyl)methyl]anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-2-phenethyloxy-N-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-phenethyloxy-N-[[2-(pyrrolidine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C27H26BrN3O3S MolecularWeight: 552.48264

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

InChI

InChI=1S/C27H26BrN3O3S/c28-20-12-13-24(34-17-14-19-8-2-1-3-9-19)22(18-20)25(32)30-27(35)29-23-11-5-4-10-21(23)26(33)31-15-6-7-16-31/h1-5,8-13,18H,6-7,14-17H2,(H2,29,30,32,35)