methyl 2-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylcarbamothioylamino]benzoate

Systemtic Name: methyl 2-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylcarbamothioylamino]benzoate Openeye Name: methyl 2-[3-[5-(4-chlorophenyl)-2-furyl]prop-2-enoylcarbamothioylamino]benzoate CAS Name: 2-[[[[3-[5-(4-chlorophenyl)-2-furanyl]-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylcarbamothioylamino]benzoate Traditional Name: 2-[[3-[5-(4-chlorophenyl)-2-furyl]acryloyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C22H17ClN2O4S MolecularWeight: 440.89938

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)NC(=O)C=CC2=CC=C(O2)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)NC(=O)C=CC2=CC=C(O2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H17ClN2O4S/c1-28-21(27)17-4-2-3-5-18(17)24-22(30)25-20(26)13-11-16-10-12-19(29-16)14-6-8-15(23)9-7-14/h2-13H,1H3,(H2,24,25,26,30)