3-bromanyl-4-methyl-N-[(2-morpholin-4-ylcarbonylphenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-methyl-N-[(2-morpholin-4-ylcarbonylphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-methyl-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-methyl-N-[[2-[4-morpholinyl(oxo)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-methyl-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-methyl-N-[[2-(morpholine-4-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C20H20BrN3O3S MolecularWeight: 462.3601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCOCC3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCOCC3)Br

InChI

InChI=1S/C20H20BrN3O3S/c1-13-6-7-14(12-16(13)21)18(25)23-20(28)22-17-5-3-2-4-15(17)19(26)24-8-10-27-11-9-24/h2-7,12H,8-11H2,1H3,(H2,22,23,25,28)