N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[(3-ethynylphenoxy)methyl]morpholine-4-carbothioamide

Systemtic Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[(3-ethynylphenoxy)methyl]morpholine-4-carbothioamide Openeye Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[(3-ethynylphenoxy)methyl]morpholine-4-carbothioamide CAS Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[(3-ethynylphenoxy)methyl]-4-morpholinecarbothioamide IUPAC Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[(3-ethynylphenoxy)methyl]morpholine-4-carbothioamide Traditional Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[(3-ethynylphenoxy)methyl]morpholine-4-carbothioamide Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CCNC(=S)N2CCOC(C2)COC3=CC=CC(=C3)C#C

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CCNC(=S)N2CCOC(C2)COC3=CC=CC(=C3)C#C

InChI

InChI=1S/C24H28N2O4S/c1-4-18-6-5-7-21(14-18)30-17-22-16-26(12-13-29-22)24(31)25-11-10-19-15-20(27-2)8-9-23(19)28-3/h1,5-9,14-15,22H,10-13,16-17H2,2-3H3,(H,25,31)