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

Systemtic Name: 5-bromanyl-2-methoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-N-[[4-(1-pyrrolidinylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-methoxy-N-[[4-(pyrrolidinomethyl)phenyl]thiocarbamoyl]benzamide Formula: C20H22BrN3O2S MolecularWeight: 448.37658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)CN3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)CN3CCCC3

InChI

InChI=1S/C20H22BrN3O2S/c1-26-18-9-6-15(21)12-17(18)19(25)23-20(27)22-16-7-4-14(5-8-16)13-24-10-2-3-11-24/h4-9,12H,2-3,10-11,13H2,1H3,(H2,22,23,25,27)