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

Systemtic Name: 5-bromanyl-N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide Openeye Name: 5-bromo-N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide CAS Name: 5-bromo-N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2-methoxy-3-methylbenzamide IUPAC Name: 5-bromo-N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide Traditional Name: 5-bromo-N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-2-methoxy-3-methyl-benzamide Formula: C25H22BrN3O3S MolecularWeight: 524.42948

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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(=C4OC)C)Br)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(O2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=CC(=C4OC)C)Br)C

InChI

InChI=1S/C25H22BrN3O3S/c1-13-9-14(2)22-20(10-13)28-24(32-22)16-5-7-18(8-6-16)27-25(33)29-23(30)19-12-17(26)11-15(3)21(19)31-4/h5-12H,1-4H3,(H2,27,29,30,33)