N-(azepan-1-ylcarbothioyl)-3-bromanyl-4-propan-2-yloxy-benzamide

Systemtic Name: N-(azepan-1-ylcarbothioyl)-3-bromanyl-4-propan-2-yloxy-benzamide Openeye Name: N-(azepane-1-carbothioyl)-3-bromo-4-isopropoxy-benzamide CAS Name: N-[1-azepanyl(sulfanylidene)methyl]-3-bromo-4-propan-2-yloxybenzamide IUPAC Name: N-(azepane-1-carbothioyl)-3-bromo-4-propan-2-yloxybenzamide Traditional Name: N-(azepane-1-carbothioyl)-3-bromo-4-isopropoxy-benzamide Formula: C17H23BrN2O2S MolecularWeight: 399.34572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(=O)NC(=S)N2CCCCCC2)Br

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C(=O)NC(=S)N2CCCCCC2)Br

InChI

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