5-(3,4-dimethylphenyl)-N-[[4-(furan-2-ylcarbonylamino)phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(3,4-dimethylphenyl)-N-[[4-(furan-2-ylcarbonylamino)phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3,4-dimethylphenyl)-N-[[4-(furan-2-carbonylamino)phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-(3,4-dimethylphenyl)-N-[[4-[[2-furanyl(oxo)methyl]amino]anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3,4-dimethylphenyl)-N-[[4-(furan-2-carbonylamino)phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3,4-dimethylphenyl)-N-[[4-(2-furoylamino)phenyl]thiocarbamoyl]-2-furamide Formula: C25H21N3O4S MolecularWeight: 459.51694

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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=CC=C(C=C3)NC(=O)C4=CC=CO4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=CC=C(C=C3)NC(=O)C4=CC=CO4)C

InChI

InChI=1S/C25H21N3O4S/c1-15-5-6-17(14-16(15)2)20-11-12-22(32-20)24(30)28-25(33)27-19-9-7-18(8-10-19)26-23(29)21-4-3-13-31-21/h3-14H,1-2H3,(H,26,29)(H2,27,28,30,33)