N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-[(6-methyl-2-propan-2-yl-pyrimidin-4-yl)oxymethyl]morpholine-4-carbothioamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-[(6-methyl-2-propan-2-yl-pyrimidin-4-yl)oxymethyl]morpholine-4-carbothioamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-[(2-isopropyl-6-methyl-pyrimidin-4-yl)oxymethyl]morpholine-4-carbothioamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-[(6-methyl-2-propan-2-yl-4-pyrimidinyl)oxymethyl]-4-morpholinecarbothioamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholine-4-carbothioamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-[(2-isopropyl-6-methyl-pyrimidin-4-yl)oxymethyl]morpholine-4-carbothioamide Formula: C22H29ClN4O4S MolecularWeight: 481.00806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)OCC2CN(CCO2)C(=S)NC3=CC(=C(C=C3OC)Cl)OC

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)OCC2CN(CCO2)C(=S)NC3=CC(=C(C=C3OC)Cl)OC

InChI

InChI=1S/C22H29ClN4O4S/c1-13(2)21-24-14(3)8-20(26-21)31-12-15-11-27(6-7-30-15)22(32)25-17-10-18(28-4)16(23)9-19(17)29-5/h8-10,13,15H,6-7,11-12H2,1-5H3,(H,25,32)