3-bromanyl-4-methoxy-N-[(4-morpholin-4-ylcarbonylphenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-methoxy-N-[(4-morpholin-4-ylcarbonylphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-methoxy-N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-methoxy-N-[[4-[4-morpholinyl(oxo)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-methoxy-N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-methoxy-N-[[4-(morpholine-4-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C20H20BrN3O4S MolecularWeight: 478.3595

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCOCC3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCOCC3)Br

InChI

InChI=1S/C20H20BrN3O4S/c1-27-17-7-4-14(12-16(17)21)18(25)23-20(29)22-15-5-2-13(3-6-15)19(26)24-8-10-28-11-9-24/h2-7,12H,8-11H2,1H3,(H2,22,23,25,29)