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

Systemtic Name: N-(azepan-1-ylcarbothioyl)-3-bromanyl-4-(2-methylpropoxy)benzamide Openeye Name: N-(azepane-1-carbothioyl)-3-bromo-4-isobutoxy-benzamide CAS Name: N-[1-azepanyl(sulfanylidene)methyl]-3-bromo-4-(2-methylpropoxy)benzamide IUPAC Name: N-(azepane-1-carbothioyl)-3-bromo-4-(2-methylpropoxy)benzamide Traditional Name: N-(azepane-1-carbothioyl)-3-bromo-4-isobutoxy-benzamide Formula: C18H25BrN2O2S MolecularWeight: 413.3723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)N2CCCCCC2)Br

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)N2CCCCCC2)Br

InChI

InChI=1S/C18H25BrN2O2S/c1-13(2)12-23-16-8-7-14(11-15(16)19)17(22)20-18(24)21-9-5-3-4-6-10-21/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H,20,22,24)