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

Systemtic Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-3-iodanyl-benzamide Openeye Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-3-iodo-benzamide CAS Name: N-[[3-(2-benzo[e][1,3]benzoxazolyl)anilino]-sulfanylidenemethyl]-3-iodobenzamide IUPAC Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-3-iodobenzamide Traditional Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)thiocarbamoyl]-3-iodo-benzamide Formula: C25H16IN3O2S MolecularWeight: 549.38291

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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=CC(=CC=C5)I

Isomeric SMILES

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

InChI

InChI=1S/C25H16IN3O2S/c26-18-8-3-6-16(13-18)23(30)29-25(32)27-19-9-4-7-17(14-19)24-28-22-20-10-2-1-5-15(20)11-12-21(22)31-24/h1-14H,(H2,27,29,30,32)