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

Systemtic Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-5-bromanyl-2-hexoxy-benzamide Openeye Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-5-bromo-2-hexoxy-benzamide CAS Name: N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-5-bromo-2-hexoxybenzamide IUPAC Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-5-bromo-2-hexoxybenzamide Traditional Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]-5-bromo-2-hexoxy-benzamide Formula: C26H34BrN3O4S2 MolecularWeight: 596.59986

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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)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C26H34BrN3O4S2/c1-2-3-4-9-18-34-24-15-10-20(27)19-23(24)25(31)29-26(35)28-21-11-13-22(14-12-21)36(32,33)30-16-7-5-6-8-17-30/h10-15,19H,2-9,16-18H2,1H3,(H2,28,29,31,35)