N-(azepan-1-ylcarbothioyl)-3-bromanyl-4-ethoxy-benzamide

Systemtic Name: N-(azepan-1-ylcarbothioyl)-3-bromanyl-4-ethoxy-benzamide Openeye Name: N-(azepane-1-carbothioyl)-3-bromo-4-ethoxy-benzamide CAS Name: N-[1-azepanyl(sulfanylidene)methyl]-3-bromo-4-ethoxybenzamide IUPAC Name: N-(azepane-1-carbothioyl)-3-bromo-4-ethoxybenzamide Traditional Name: N-(azepane-1-carbothioyl)-3-bromo-4-ethoxy-benzamide Formula: C16H21BrN2O2S MolecularWeight: 385.31914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCCCCC2)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCCCCC2)Br

InChI

InChI=1S/C16H21BrN2O2S/c1-2-21-14-8-7-12(11-13(14)17)15(20)18-16(22)19-9-5-3-4-6-10-19/h7-8,11H,2-6,9-10H2,1H3,(H,18,20,22)