N-[(2,4-dichlorophenyl)methyl]-2-[(3-ethynylphenoxy)methyl]morpholine-4-carbothioamide

Systemtic Name: N-[(2,4-dichlorophenyl)methyl]-2-[(3-ethynylphenoxy)methyl]morpholine-4-carbothioamide Openeye Name: N-[(2,4-dichlorophenyl)methyl]-2-[(3-ethynylphenoxy)methyl]morpholine-4-carbothioamide CAS Name: N-[(2,4-dichlorophenyl)methyl]-2-[(3-ethynylphenoxy)methyl]-4-morpholinecarbothioamide IUPAC Name: N-[(2,4-dichlorophenyl)methyl]-2-[(3-ethynylphenoxy)methyl]morpholine-4-carbothioamide Traditional Name: N-(2,4-dichlorobenzyl)-2-[(3-ethynylphenoxy)methyl]morpholine-4-carbothioamide Formula: C21H20Cl2N2O2S MolecularWeight: 435.3667

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)OCC2CN(CCO2)C(=S)NCC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C#CC1=CC(=CC=C1)OCC2CN(CCO2)C(=S)NCC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H20Cl2N2O2S/c1-2-15-4-3-5-18(10-15)27-14-19-13-25(8-9-26-19)21(28)24-12-16-6-7-17(22)11-20(16)23/h1,3-7,10-11,19H,8-9,12-14H2,(H,24,28)