5-bromanyl-2-phenethyloxy-N-pyrrolidin-1-ylcarbothioyl-benzamide

Systemtic Name: 5-bromanyl-2-phenethyloxy-N-pyrrolidin-1-ylcarbothioyl-benzamide Openeye Name: 5-bromo-2-phenethyloxy-N-(pyrrolidine-1-carbothioyl)benzamide CAS Name: 5-bromo-2-phenethyloxy-N-[1-pyrrolidinyl(sulfanylidene)methyl]benzamide IUPAC Name: 5-bromo-2-phenethyloxy-N-(pyrrolidine-1-carbothioyl)benzamide Traditional Name: 5-bromo-2-phenethyloxy-N-(pyrrolidine-1-carbothioyl)benzamide Formula: C20H21BrN2O2S MolecularWeight: 433.36194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)C(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C20H21BrN2O2S/c21-16-8-9-18(25-13-10-15-6-2-1-3-7-15)17(14-16)19(24)22-20(26)23-11-4-5-12-23/h1-3,6-9,14H,4-5,10-13H2,(H,22,24,26)