ethyl 2-[(4-chloranyl-2-methyl-phenyl)carbamothioyl-(pyridin-2-ylmethyl)amino]ethanoate

Systemtic Name: ethyl 2-[(4-chloranyl-2-methyl-phenyl)carbamothioyl-(pyridin-2-ylmethyl)amino]ethanoate Openeye Name: ethyl 2-[(4-chloro-2-methyl-phenyl)carbamothioyl-(2-pyridylmethyl)amino]acetate CAS Name: 2-[[(4-chloro-2-methylanilino)-sulfanylidenemethyl]-(2-pyridinylmethyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[(4-chloro-2-methylphenyl)carbamothioyl-(pyridin-2-ylmethyl)amino]acetate Traditional Name: 2-[(4-chloro-2-methyl-phenyl)thiocarbamoyl-(2-pyridylmethyl)amino]acetic acid ethyl ester Formula: C18H20ClN3O2S MolecularWeight: 377.8883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O2S/c1-3-24-17(23)12-22(11-15-6-4-5-9-20-15)18(25)21-16-8-7-14(19)10-13(16)2/h4-10H,3,11-12H2,1-2H3,(H,21,25)