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

Systemtic Name: N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-5-bromanyl-2-ethoxy-benzamide Openeye Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-5-bromo-2-ethoxy-benzamide CAS Name: N-[[4-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-5-bromo-2-ethoxybenzamide IUPAC Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-5-bromo-2-ethoxybenzamide Traditional Name: N-[[4-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-5-bromo-2-ethoxy-benzamide Formula: C23H26BrN3O3S MolecularWeight: 504.43984

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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)C(=O)N3CCCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C23H26BrN3O3S/c1-2-30-20-12-9-17(24)15-19(20)21(28)26-23(31)25-18-10-7-16(8-11-18)22(29)27-13-5-3-4-6-14-27/h7-12,15H,2-6,13-14H2,1H3,(H2,25,26,28,31)