3-bromanyl-N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-4-ethoxy-benzamide

Systemtic Name: 3-bromanyl-N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[(3-chloro-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-bromo-N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-[(3-chloro-2-pyrrolidino-phenyl)thiocarbamoyl]-4-ethoxy-benzamide Formula: C20H21BrClN3O2S MolecularWeight: 482.82164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCCC3)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCCC3)Br

InChI

InChI=1S/C20H21BrClN3O2S/c1-2-27-17-9-8-13(12-14(17)21)19(26)24-20(28)23-16-7-5-6-15(22)18(16)25-10-3-4-11-25/h5-9,12H,2-4,10-11H2,1H3,(H2,23,24,26,28)