5-(3-nitrophenyl)-N-[(2,4,6-trimethylphenyl)carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(3-nitrophenyl)-N-[(2,4,6-trimethylphenyl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3-nitrophenyl)-N-[(2,4,6-trimethylphenyl)carbamothioyl]furan-2-carboxamide CAS Name: 5-(3-nitrophenyl)-N-[sulfanylidene-(2,4,6-trimethylanilino)methyl]-2-furancarboxamide IUPAC Name: 5-(3-nitrophenyl)-N-[(2,4,6-trimethylphenyl)carbamothioyl]furan-2-carboxamide Traditional Name: N-(mesitylthiocarbamoyl)-5-(3-nitrophenyl)-2-furamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O4S/c1-12-9-13(2)19(14(3)10-12)22-21(29)23-20(25)18-8-7-17(28-18)15-5-4-6-16(11-15)24(26)27/h4-11H,1-3H3,(H2,22,23,25,29)