N-[(4-benzamido-3-methyl-phenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[(4-benzamido-3-methyl-phenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-[(4-benzamido-3-methyl-phenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[(4-benzamido-3-methylanilino)-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[(4-benzamido-3-methylphenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-[(4-benzamido-3-methyl-phenyl)thiocarbamoyl]-5-(3-nitrophenyl)-2-furamide Formula: C26H20N4O5S MolecularWeight: 500.5258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])NC(=O)C4=CC=CC=C4

InChI

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