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

Systemtic Name: 5-bromanyl-2-phenethyloxy-N-piperidin-1-ylcarbothioyl-benzamide Openeye Name: 5-bromo-2-phenethyloxy-N-(piperidine-1-carbothioyl)benzamide CAS Name: 5-bromo-2-phenethyloxy-N-[1-piperidinyl(sulfanylidene)methyl]benzamide IUPAC Name: 5-bromo-2-phenethyloxy-N-(piperidine-1-carbothioyl)benzamide Traditional Name: 5-bromo-2-phenethyloxy-N-(piperidine-1-carbothioyl)benzamide Formula: C21H23BrN2O2S MolecularWeight: 447.38852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)C(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C21H23BrN2O2S/c22-17-9-10-19(26-14-11-16-7-3-1-4-8-16)18(15-17)20(25)23-21(27)24-12-5-2-6-13-24/h1,3-4,7-10,15H,2,5-6,11-14H2,(H,23,25,27)