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

Systemtic Name: 5-bromanyl-2-methoxy-3-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-3-methyl-N-[[4-(morpholinomethyl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-3-methyl-N-[[4-(4-morpholinylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-3-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-methoxy-3-methyl-N-[[4-(morpholinomethyl)phenyl]thiocarbamoyl]benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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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)CN3CCOCC3)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)CN3CCOCC3)OC

InChI

InChI=1S/C21H24BrN3O3S/c1-14-11-16(22)12-18(19(14)27-2)20(26)24-21(29)23-17-5-3-15(4-6-17)13-25-7-9-28-10-8-25/h3-6,11-12H,7-10,13H2,1-2H3,(H2,23,24,26,29)