N-[(3,4-dichlorophenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxy-phenyl)propanethioamide

Systemtic Name: N-[(3,4-dichlorophenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxy-phenyl)propanethioamide Openeye Name: N-[(3,4-dichlorophenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxy-phenyl)propanethioamide CAS Name: N-[(3,4-dichlorophenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxyphenyl)propanethioamide IUPAC Name: N-[(3,4-dichlorophenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxyphenyl)propanethioamide Traditional Name: N-(3,4-dichlorobenzyl)-3-(3-methoxy-4-propargyloxy-phenyl)thiopropionamide Formula: C20H19Cl2NO2S MolecularWeight: 408.34136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCC(=S)NCC2=CC(=C(C=C2)Cl)Cl)OCC#C

Isomeric SMILES

COC1=C(C=CC(=C1)CCC(=S)NCC2=CC(=C(C=C2)Cl)Cl)OCC#C

InChI

InChI=1S/C20H19Cl2NO2S/c1-3-10-25-18-8-5-14(12-19(18)24-2)6-9-20(26)23-13-15-4-7-16(21)17(22)11-15/h1,4-5,7-8,11-12H,6,9-10,13H2,2H3,(H,23,26)