ethyl 4-[[5-(3-nitrophenyl)furan-2-yl]carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[5-(3-nitrophenyl)furan-2-yl]carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[[5-(3-nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoate CAS Name: 4-[[[[[5-(3-nitrophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-(3-nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoate Traditional Name: 4-[[5-(3-nitrophenyl)-2-furoyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C21H17N3O6S MolecularWeight: 439.44118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O6S/c1-2-29-20(26)13-6-8-15(9-7-13)22-21(31)23-19(25)18-11-10-17(30-18)14-4-3-5-16(12-14)24(27)28/h3-12H,2H2,1H3,(H2,22,23,25,31)