5-(2-nitrophenyl)-N-[(4-propan-2-ylphenyl)carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(2-nitrophenyl)-N-[(4-propan-2-ylphenyl)carbamothioyl]furan-2-carboxamide Openeye Name: N-[(4-isopropylphenyl)carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide CAS Name: 5-(2-nitrophenyl)-N-[(4-propan-2-ylanilino)-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(2-nitrophenyl)-N-[(4-propan-2-ylphenyl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-(2-nitrophenyl)-N-(p-cumenylthiocarbamoyl)-2-furamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O4S/c1-13(2)14-7-9-15(10-8-14)22-21(29)23-20(25)19-12-11-18(28-19)16-5-3-4-6-17(16)24(26)27/h3-13H,1-2H3,(H2,22,23,25,29)