N-[[4-[(3-methylphenyl)carbonylamino]phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[[4-[(3-methylphenyl)carbonylamino]phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-[[4-[(3-methylbenzoyl)amino]phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[[4-[[(3-methylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[[4-[(3-methylbenzoyl)amino]phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-[[4-(m-toluoylamino)phenyl]thiocarbamoyl]-5-(3-nitrophenyl)-2-furamide Formula: C26H20N4O5S MolecularWeight: 500.5258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H20N4O5S/c1-16-4-2-6-18(14-16)24(31)27-19-8-10-20(11-9-19)28-26(36)29-25(32)23-13-12-22(35-23)17-5-3-7-21(15-17)30(33)34/h2-15H,1H3,(H,27,31)(H2,28,29,32,36)