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

Systemtic Name: N-[[2-(2-bromanyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: N-[[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-isopropyl-benzamide CAS Name: N-[[[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: N-[[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-4-isopropyl-benzamide Formula: C24H19BrIN3O2S MolecularWeight: 620.30003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=CC(=C4)I)Br

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=CC(=C4)I)Br

InChI

InChI=1S/C24H19BrIN3O2S/c1-13(2)14-3-5-15(6-4-14)22(30)29-24(32)27-17-8-10-21-20(12-17)28-23(31-21)18-11-16(26)7-9-19(18)25/h3-13H,1-2H3,(H2,27,29,30,32)