N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-2-chloranyl-5-iodanyl-benzamide

Systemtic Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-2-chloranyl-5-iodanyl-benzamide Openeye Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-2-chloro-5-iodo-benzamide CAS Name: N-[[3-(2-benzo[e][1,3]benzoxazolyl)anilino]-sulfanylidenemethyl]-2-chloro-5-iodobenzamide IUPAC Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-2-chloro-5-iodobenzamide Traditional Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)thiocarbamoyl]-2-chloro-5-iodo-benzamide Formula: C25H15ClIN3O2S MolecularWeight: 583.82797

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2N=C(O3)C4=CC(=CC=C4)NC(=S)NC(=O)C5=C(C=CC(=C5)I)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2N=C(O3)C4=CC(=CC=C4)NC(=S)NC(=O)C5=C(C=CC(=C5)I)Cl

InChI

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