(phenylmethyl) 2-[(2,5-dimethoxyphenyl)carbamothioylamino]ethanoate

Systemtic Name: (phenylmethyl) 2-[(2,5-dimethoxyphenyl)carbamothioylamino]ethanoate Openeye Name: benzyl 2-[(2,5-dimethoxyphenyl)carbamothioylamino]acetate CAS Name: 2-[[(2,5-dimethoxyanilino)-sulfanylidenemethyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(2,5-dimethoxyphenyl)carbamothioylamino]acetate Traditional Name: 2-[(2,5-dimethoxyphenyl)thiocarbamoylamino]acetic acid benzyl ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=S)NCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=S)NCC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H20N2O4S/c1-22-14-8-9-16(23-2)15(10-14)20-18(25)19-11-17(21)24-12-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H2,19,20,25)