N-[(2-ethyl-6-methyl-phenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[(2-ethyl-6-methyl-phenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-[(2-ethyl-6-methyl-phenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[(2-ethyl-6-methylphenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-[(2-ethyl-6-methyl-phenyl)thiocarbamoyl]-5-(3-nitrophenyl)-2-furamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

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