N-[[2-(2-chloranyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-2-carboxamide

Systemtic Name: N-[[2-(2-chloranyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: N-[[2-(2-chloro-5-iodo-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-2-carboxamide CAS Name: N-[[[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: N-[[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-2-carboxamide Traditional Name: N-[[2-(2-chloro-5-iodo-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2-naphthamide Formula: C25H15ClIN3O2S MolecularWeight: 583.82797

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=C(C=CC(=C5)I)Cl

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=C(C=CC(=C5)I)Cl

InChI

InChI=1S/C25H15ClIN3O2S/c26-20-9-7-17(27)12-19(20)24-29-21-13-18(8-10-22(21)32-24)28-25(33)30-23(31)16-6-5-14-3-1-2-4-15(14)11-16/h1-13H,(H2,28,30,31,33)