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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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