5-bromanyl-2-methoxy-3-methyl-N-[(4-morpholin-4-ylphenyl)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-methoxy-3-methyl-N-[(4-morpholin-4-ylphenyl)carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-3-methyl-N-[(4-morpholinophenyl)carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-3-methyl-N-[[4-(4-morpholinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-3-methyl-N-[(4-morpholin-4-ylphenyl)carbamothioyl]benzamide Traditional Name: 5-bromo-2-methoxy-3-methyl-N-[(4-morpholinophenyl)thiocarbamoyl]benzamide Formula: C20H22BrN3O3S MolecularWeight: 464.37598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCOCC3)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCOCC3)OC

InChI

InChI=1S/C20H22BrN3O3S/c1-13-11-14(21)12-17(18(13)26-2)19(25)23-20(28)22-15-3-5-16(6-4-15)24-7-9-27-10-8-24/h3-6,11-12H,7-10H2,1-2H3,(H2,22,23,25,28)