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

Systemtic Name: 4-iodanyl-N-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide Openeye Name: 4-iodo-N-[[2-(1-naphthyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 4-iodo-N-[[[2-(1-naphthalenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-iodo-N-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide Traditional Name: 4-iodo-N-[[2-(1-naphthyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C25H16IN3O2S MolecularWeight: 549.38291

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C3=NC4=C(O3)C=CC(=C4)NC(=S)NC(=O)C5=CC=C(C=C5)I

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C3=NC4=C(O3)C=CC(=C4)NC(=S)NC(=O)C5=CC=C(C=C5)I

InChI

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