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

Systemtic Name: 3,5-bis(bromanyl)-2-methoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 3,5-dibromo-2-methoxy-N-[[4-(morpholinomethyl)phenyl]carbamothioyl]benzamide CAS Name: 3,5-dibromo-2-methoxy-N-[[4-(4-morpholinylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dibromo-2-methoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 3,5-dibromo-2-methoxy-N-[[4-(morpholinomethyl)phenyl]thiocarbamoyl]benzamide Formula: C20H21Br2N3O3S MolecularWeight: 543.27204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(=O)NC(=S)NC2=CC=C(C=C2)CN3CCOCC3)Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1C(=O)NC(=S)NC2=CC=C(C=C2)CN3CCOCC3)Br)Br

InChI

InChI=1S/C20H21Br2N3O3S/c1-27-18-16(10-14(21)11-17(18)22)19(26)24-20(29)23-15-4-2-13(3-5-15)12-25-6-8-28-9-7-25/h2-5,10-11H,6-9,12H2,1H3,(H2,23,24,26,29)