ethyl 3-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]benzoate

Systemtic Name: ethyl 3-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]benzoate Openeye Name: ethyl 3-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]benzoate CAS Name: 3-[[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]benzoate Traditional Name: 3-(homoveratrylthiocarbamoylamino)benzoic acid ethyl ester Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C20H24N2O4S/c1-4-26-19(23)15-6-5-7-16(13-15)22-20(27)21-11-10-14-8-9-17(24-2)18(12-14)25-3/h5-9,12-13H,4,10-11H2,1-3H3,(H2,21,22,27)