methyl 4,6-bis(chloranyl)-2-[ethanethioyl(propan-2-yl)amino]-3-pyrimidin-5-yl-benzoate

Systemtic Name: methyl 4,6-bis(chloranyl)-2-[ethanethioyl(propan-2-yl)amino]-3-pyrimidin-5-yl-benzoate Openeye Name: methyl 4,6-dichloro-2-[ethanethioyl(isopropyl)amino]-3-pyrimidin-5-yl-benzoate CAS Name: 4,6-dichloro-2-[propan-2-yl(1-sulfanylideneethyl)amino]-3-(5-pyrimidinyl)benzoic acid methyl ester IUPAC Name: methyl 4,6-dichloro-2-[ethanethioyl(propan-2-yl)amino]-3-pyrimidin-5-ylbenzoate Traditional Name: 4,6-dichloro-2-[isopropyl(thioacetyl)amino]-3-(5-pyrimidyl)benzoic acid methyl ester Formula: C17H17Cl2N3O2S MolecularWeight: 398.30678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=C(C(=CC(=C1C(=O)OC)Cl)Cl)C2=CN=CN=C2)C(=S)C

Isomeric SMILES

CC(C)N(C1=C(C(=CC(=C1C(=O)OC)Cl)Cl)C2=CN=CN=C2)C(=S)C

InChI

InChI=1S/C17H17Cl2N3O2S/c1-9(2)22(10(3)25)16-14(11-6-20-8-21-7-11)12(18)5-13(19)15(16)17(23)24-4/h5-9H,1-4H3