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

Systemtic Name: 5-(3,4-dimethylphenyl)-N-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3,4-dimethylphenyl)-N-[[2-(m-tolyl)-1,3-benzoxazol-5-yl]carbamothioyl]furan-2-carboxamide CAS Name: 5-(3,4-dimethylphenyl)-N-[[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3,4-dimethylphenyl)-N-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3,4-dimethylphenyl)-N-[[2-(m-tolyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2-furamide Formula: C28H23N3O3S MolecularWeight: 481.56552

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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)C)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)C)C

InChI

InChI=1S/C28H23N3O3S/c1-16-5-4-6-20(13-16)27-30-22-15-21(9-10-24(22)34-27)29-28(35)31-26(32)25-12-11-23(33-25)19-8-7-17(2)18(3)14-19/h4-15H,1-3H3,(H2,29,31,32,35)