N-[(3,5-dimethyl-2-oxidanyl-phenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[(3,5-dimethyl-2-oxidanyl-phenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-[(2-hydroxy-3,5-dimethyl-phenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[(2-hydroxy-3,5-dimethylanilino)-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-[(2-hydroxy-3,5-dimethyl-phenyl)thiocarbamoyl]-5-(3-nitrophenyl)-2-furamide Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O5S/c1-11-8-12(2)18(24)15(9-11)21-20(29)22-19(25)17-7-6-16(28-17)13-4-3-5-14(10-13)23(26)27/h3-10,24H,1-2H3,(H2,21,22,25,29)