3,5-bis(bromanyl)-2-methoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3,5-bis(bromanyl)-2-methoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 3,5-dibromo-2-methoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 3,5-dibromo-2-methoxy-N-[[4-(1-pyrrolidinylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dibromo-2-methoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 3,5-dibromo-2-methoxy-N-[[4-(pyrrolidinomethyl)phenyl]thiocarbamoyl]benzamide Formula: C20H21Br2N3O2S MolecularWeight: 527.27264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(=O)NC(=S)NC2=CC=C(C=C2)CN3CCCC3)Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1C(=O)NC(=S)NC2=CC=C(C=C2)CN3CCCC3)Br)Br

InChI

InChI=1S/C20H21Br2N3O2S/c1-27-18-16(10-14(21)11-17(18)22)19(26)24-20(28)23-15-6-4-13(5-7-15)12-25-8-2-3-9-25/h4-7,10-11H,2-3,8-9,12H2,1H3,(H2,23,24,26,28)