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

Systemtic Name: N-(azepan-1-ylcarbothioyl)-3-bromanyl-4-propoxy-benzamide Openeye Name: N-(azepane-1-carbothioyl)-3-bromo-4-propoxy-benzamide CAS Name: N-[1-azepanyl(sulfanylidene)methyl]-3-bromo-4-propoxybenzamide IUPAC Name: N-(azepane-1-carbothioyl)-3-bromo-4-propoxybenzamide Traditional Name: N-(azepane-1-carbothioyl)-3-bromo-4-propoxy-benzamide Formula: C17H23BrN2O2S MolecularWeight: 399.34572

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCCCCC2)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCCCCC2)Br

InChI

InChI=1S/C17H23BrN2O2S/c1-2-11-22-15-8-7-13(12-14(15)18)16(21)19-17(23)20-9-5-3-4-6-10-20/h7-8,12H,2-6,9-11H2,1H3,(H,19,21,23)