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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=C(O4)C5=CC(=C(C=C5)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=C(O4)C5=CC(=C(C=C5)C)C

InChI

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