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

Systemtic Name: N-(azepan-1-ylcarbothioyl)-3-bromanyl-4-hexoxy-benzamide Openeye Name: N-(azepane-1-carbothioyl)-3-bromo-4-hexoxy-benzamide CAS Name: N-[1-azepanyl(sulfanylidene)methyl]-3-bromo-4-hexoxybenzamide IUPAC Name: N-(azepane-1-carbothioyl)-3-bromo-4-hexoxybenzamide Traditional Name: N-(azepane-1-carbothioyl)-3-bromo-4-hexoxy-benzamide Formula: C20H29BrN2O2S MolecularWeight: 441.42546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCCCCC2)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCCCCC2)Br

InChI

InChI=1S/C20H29BrN2O2S/c1-2-3-4-9-14-25-18-11-10-16(15-17(18)21)19(24)22-20(26)23-12-7-5-6-8-13-23/h10-11,15H,2-9,12-14H2,1H3,(H,22,24,26)