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

Systemtic Name: 3-bromanyl-N-[[2-(3-bromanyl-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Openeye Name: 3-bromo-N-[[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Traditional Name: 3-bromo-N-[[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C22H15Br2N3O3S MolecularWeight: 561.2458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=CC=C4)Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=CC=C4)Br)Br

InChI

InChI=1S/C22H15Br2N3O3S/c1-29-18-7-5-13(10-16(18)24)21-26-17-11-15(6-8-19(17)30-21)25-22(31)27-20(28)12-3-2-4-14(23)9-12/h2-11H,1H3,(H2,25,27,28,31)