2-bromanyl-N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 2-bromanyl-N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide Openeye Name: 2-bromo-N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]benzamide Formula: C23H18BrN3O2S MolecularWeight: 480.37692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(O2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=CC=C4Br)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(O2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=CC=C4Br)C

InChI

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