N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-[(3-ethynylphenoxy)methyl]morpholine-4-carbothioamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-[(3-ethynylphenoxy)methyl]morpholine-4-carbothioamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-[(3-ethynylphenoxy)methyl]morpholine-4-carbothioamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-[(3-ethynylphenoxy)methyl]-4-morpholinecarbothioamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-[(3-ethynylphenoxy)methyl]morpholine-4-carbothioamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-[(3-ethynylphenoxy)methyl]morpholine-4-carbothioamide Formula: C22H23ClN2O4S MolecularWeight: 446.94702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)N2CCOC(C2)COC3=CC=CC(=C3)C#C)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)N2CCOC(C2)COC3=CC=CC(=C3)C#C)OC)Cl

InChI

InChI=1S/C22H23ClN2O4S/c1-4-15-6-5-7-16(10-15)29-14-17-13-25(8-9-28-17)22(30)24-19-12-20(26-2)18(23)11-21(19)27-3/h1,5-7,10-12,17H,8-9,13-14H2,2-3H3,(H,24,30)