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

Systemtic Name: 5-(3,4-dimethylphenyl)-N-[[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3,4-dimethylphenyl)-N-[[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-(3,4-dimethylphenyl)-N-[[3-(5-ethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3,4-dimethylphenyl)-N-[[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3,4-dimethylphenyl)-N-[[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-2-furamide Formula: C29H25N3O3S MolecularWeight: 495.5921

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC=C(O4)C5=CC(=C(C=C5)C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC=C(O4)C5=CC(=C(C=C5)C)C

InChI

InChI=1S/C29H25N3O3S/c1-4-19-9-11-25-23(15-19)31-28(35-25)21-6-5-7-22(16-21)30-29(36)32-27(33)26-13-12-24(34-26)20-10-8-17(2)18(3)14-20/h5-16H,4H2,1-3H3,(H2,30,32,33,36)