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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=S)NCC1=CC(=C(C=C1)Cl)Cl)C2=CC(=C(C=C2)OCC#C)OC

Isomeric SMILES

CC(CC(=S)NCC1=CC(=C(C=C1)Cl)Cl)C2=CC(=C(C=C2)OCC#C)OC

InChI

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