ethyl 2-[(2,5-dimethoxyphenyl)carbamothioyl-(pyridin-2-ylmethyl)amino]ethanoate

Systemtic Name: ethyl 2-[(2,5-dimethoxyphenyl)carbamothioyl-(pyridin-2-ylmethyl)amino]ethanoate Openeye Name: ethyl 2-[(2,5-dimethoxyphenyl)carbamothioyl-(2-pyridylmethyl)amino]acetate CAS Name: 2-[[(2,5-dimethoxyanilino)-sulfanylidenemethyl]-(2-pyridinylmethyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2,5-dimethoxyphenyl)carbamothioyl-(pyridin-2-ylmethyl)amino]acetate Traditional Name: 2-[(2,5-dimethoxyphenyl)thiocarbamoyl-(2-pyridylmethyl)amino]acetic acid ethyl ester Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CC1=CC=CC=N1)C(=S)NC2=C(C=CC(=C2)OC)OC

Isomeric SMILES

CCOC(=O)CN(CC1=CC=CC=N1)C(=S)NC2=C(C=CC(=C2)OC)OC

InChI

InChI=1S/C19H23N3O4S/c1-4-26-18(23)13-22(12-14-7-5-6-10-20-14)19(27)21-16-11-15(24-2)8-9-17(16)25-3/h5-11H,4,12-13H2,1-3H3,(H,21,27)