ethyl 4-[[(2,3-dimethoxyphenyl)methyl-(furan-2-ylmethyl)carbamothioyl]amino]benzoate

Systemtic Name: ethyl 4-[[(2,3-dimethoxyphenyl)methyl-(furan-2-ylmethyl)carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[(2,3-dimethoxyphenyl)methyl-(2-furylmethyl)carbamothioyl]amino]benzoate CAS Name: 4-[[[(2,3-dimethoxyphenyl)methyl-(2-furanylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2,3-dimethoxyphenyl)methyl-(furan-2-ylmethyl)carbamothioyl]amino]benzoate Traditional Name: 4-[[2-furfuryl(o-veratryl)thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C24H26N2O5S MolecularWeight: 454.53864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CC2=C(C(=CC=C2)OC)OC)CC3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CC2=C(C(=CC=C2)OC)OC)CC3=CC=CO3

InChI

InChI=1S/C24H26N2O5S/c1-4-30-23(27)17-10-12-19(13-11-17)25-24(32)26(16-20-8-6-14-31-20)15-18-7-5-9-21(28-2)22(18)29-3/h5-14H,4,15-16H2,1-3H3,(H,25,32)