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

Systemtic Name: N-[(3,4-dichlorophenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxy-phenyl)-2-methyl-propanethioamide Openeye Name: N-[(3,4-dichlorophenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxy-phenyl)-2-methyl-propanethioamide CAS Name: N-[(3,4-dichlorophenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxyphenyl)-2-methylpropanethioamide IUPAC Name: N-[(3,4-dichlorophenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxyphenyl)-2-methylpropanethioamide Traditional Name: N-(3,4-dichlorobenzyl)-3-(3-methoxy-4-propargyloxy-phenyl)-2-methyl-thiopropionamide Formula: C21H21Cl2NO2S MolecularWeight: 422.36794

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)OCC#C)OC)C(=S)NCC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CC(CC1=CC(=C(C=C1)OCC#C)OC)C(=S)NCC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C21H21Cl2NO2S/c1-4-9-26-19-8-6-15(12-20(19)25-3)10-14(2)21(27)24-13-16-5-7-17(22)18(23)11-16/h1,5-8,11-12,14H,9-10,13H2,2-3H3,(H,24,27)