3-bromanyl-N-morpholin-4-ylcarbothioyl-4-phenethyloxy-benzamide

Systemtic Name: 3-bromanyl-N-morpholin-4-ylcarbothioyl-4-phenethyloxy-benzamide Openeye Name: 3-bromo-N-(morpholine-4-carbothioyl)-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[4-morpholinyl(sulfanylidene)methyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-(morpholine-4-carbothioyl)-4-phenethyloxybenzamide Traditional Name: 3-bromo-N-(morpholine-4-carbothioyl)-4-phenethyloxy-benzamide Formula: C20H21BrN2O3S MolecularWeight: 449.36134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=S)NC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

Isomeric SMILES

C1COCCN1C(=S)NC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

InChI

InChI=1S/C20H21BrN2O3S/c21-17-14-16(19(24)22-20(27)23-9-12-25-13-10-23)6-7-18(17)26-11-8-15-4-2-1-3-5-15/h1-7,14H,8-13H2,(H,22,24,27)