3-bromanyl-N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]benzamide Formula: C23H18BrN3O2S MolecularWeight: 480.37692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(O2)C3=CC(=C(C=C3)C)NC(=S)NC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(O2)C3=CC(=C(C=C3)C)NC(=S)NC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C23H18BrN3O2S/c1-13-6-9-18-20(10-13)29-22(25-18)16-8-7-14(2)19(12-16)26-23(30)27-21(28)15-4-3-5-17(24)11-15/h3-12H,1-2H3,(H2,26,27,28,30)