N-(azepan-1-ylcarbothioyl)-5-bromanyl-2-phenethyloxy-benzamide

Systemtic Name: N-(azepan-1-ylcarbothioyl)-5-bromanyl-2-phenethyloxy-benzamide Openeye Name: N-(azepane-1-carbothioyl)-5-bromo-2-phenethyloxy-benzamide CAS Name: N-[1-azepanyl(sulfanylidene)methyl]-5-bromo-2-phenethyloxybenzamide IUPAC Name: N-(azepane-1-carbothioyl)-5-bromo-2-phenethyloxybenzamide Traditional Name: N-(azepane-1-carbothioyl)-5-bromo-2-phenethyloxy-benzamide Formula: C22H25BrN2O2S MolecularWeight: 461.4151

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C22H25BrN2O2S/c23-18-10-11-20(27-15-12-17-8-4-3-5-9-17)19(16-18)21(26)24-22(28)25-13-6-1-2-7-14-25/h3-5,8-11,16H,1-2,6-7,12-15H2,(H,24,26,28)