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

Systemtic Name: methyl 4-[[5-(3-nitrophenyl)furan-2-yl]carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[[5-(3-nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoate CAS Name: 4-[[[[[5-(3-nitrophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(3-nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoate Traditional Name: 4-[[5-(3-nitrophenyl)-2-furoyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C20H15N3O6S MolecularWeight: 425.4146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O6S/c1-28-19(25)12-5-7-14(8-6-12)21-20(30)22-18(24)17-10-9-16(29-17)13-3-2-4-15(11-13)23(26)27/h2-11H,1H3,(H2,21,22,24,30)