N-[[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide

Systemtic Name: N-[[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide Openeye Name: N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide CAS Name: N-[[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide Traditional Name: N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]butyramide Formula: C18H16IN3O2S MolecularWeight: 465.30801

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)I

Isomeric SMILES

CCCC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)I

InChI

InChI=1S/C18H16IN3O2S/c1-2-4-16(23)22-18(25)20-13-7-8-15-14(10-13)21-17(24-15)11-5-3-6-12(19)9-11/h3,5-10H,2,4H2,1H3,(H2,20,22,23,25)