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

Systemtic Name: ethyl 4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylcarbamothioylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H19ClN2O4S MolecularWeight: 454.92596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19ClN2O4S/c1-2-29-22(28)16-5-9-18(10-6-16)25-23(31)26-21(27)14-12-19-11-13-20(30-19)15-3-7-17(24)8-4-15/h3-14H,2H2,1H3,(H2,25,26,27,31)