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

Systemtic Name: N-[(3,4-dimethylphenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxy-phenyl)propanethioamide Openeye Name: N-[(3,4-dimethylphenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxy-phenyl)propanethioamide CAS Name: N-[(3,4-dimethylphenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxyphenyl)propanethioamide IUPAC Name: N-[(3,4-dimethylphenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxyphenyl)propanethioamide Traditional Name: N-(3,4-dimethylbenzyl)-3-(3-methoxy-4-propargyloxy-phenyl)thiopropionamide Formula: C22H25NO2S MolecularWeight: 367.5044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=S)CCC2=CC(=C(C=C2)OCC#C)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=S)CCC2=CC(=C(C=C2)OCC#C)OC)C

InChI

InChI=1S/C22H25NO2S/c1-5-12-25-20-10-8-18(14-21(20)24-4)9-11-22(26)23-15-19-7-6-16(2)17(3)13-19/h1,6-8,10,13-14H,9,11-12,15H2,2-4H3,(H,23,26)