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

Systemtic Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-5-bromanyl-2-ethoxy-benzamide Openeye Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-5-bromo-2-ethoxy-benzamide CAS Name: N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-5-bromo-2-ethoxybenzamide IUPAC Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-5-bromo-2-ethoxybenzamide Traditional Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]-5-bromo-2-ethoxy-benzamide Formula: C22H26BrN3O4S2 MolecularWeight: 540.49354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H26BrN3O4S2/c1-2-30-20-12-7-16(23)15-19(20)21(27)25-22(31)24-17-8-10-18(11-9-17)32(28,29)26-13-5-3-4-6-14-26/h7-12,15H,2-6,13-14H2,1H3,(H2,24,25,27,31)