N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-5-bromanyl-2-hexoxy-benzamide

Systemtic Name: N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-5-bromanyl-2-hexoxy-benzamide Openeye Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-5-bromo-2-hexoxy-benzamide CAS Name: N-[[4-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-5-bromo-2-hexoxybenzamide IUPAC Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-5-bromo-2-hexoxybenzamide Traditional Name: N-[[4-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-5-bromo-2-hexoxy-benzamide Formula: C27H34BrN3O3S MolecularWeight: 560.54616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCCCC3

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCCCC3

InChI

InChI=1S/C27H34BrN3O3S/c1-2-3-4-9-18-34-24-15-12-21(28)19-23(24)25(32)30-27(35)29-22-13-10-20(11-14-22)26(33)31-16-7-5-6-8-17-31/h10-15,19H,2-9,16-18H2,1H3,(H2,29,30,32,35)