5-(3,4-dimethylphenyl)-N-[[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(3,4-dimethylphenyl)-N-[[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3,4-dimethylphenyl)-N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]furan-2-carboxamide CAS Name: 5-(3,4-dimethylphenyl)-N-[[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3,4-dimethylphenyl)-N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3,4-dimethylphenyl)-N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2-furamide Formula: C27H20IN3O3S MolecularWeight: 593.43547

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC(=CC=C5)I)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC(=CC=C5)I)C

InChI

InChI=1S/C27H20IN3O3S/c1-15-6-7-17(12-16(15)2)22-10-11-24(33-22)25(32)31-27(35)29-20-8-9-23-21(14-20)30-26(34-23)18-4-3-5-19(28)13-18/h3-14H,1-2H3,(H2,29,31,32,35)