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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCCCCC2)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCCCCC2)Br

InChI

InChI=1S/C18H25BrN2O2S/c1-2-3-12-23-16-9-8-14(13-15(16)19)17(22)20-18(24)21-10-6-4-5-7-11-21/h8-9,13H,2-7,10-12H2,1H3,(H,20,22,24)