N-[(4-chlorophenyl)methyl]-3-(3-ethoxy-4-prop-2-ynoxy-phenyl)propanethioamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-3-(3-ethoxy-4-prop-2-ynoxy-phenyl)propanethioamide Openeye Name: N-[(4-chlorophenyl)methyl]-3-(3-ethoxy-4-prop-2-ynoxy-phenyl)propanethioamide CAS Name: N-[(4-chlorophenyl)methyl]-3-(3-ethoxy-4-prop-2-ynoxyphenyl)propanethioamide IUPAC Name: N-[(4-chlorophenyl)methyl]-3-(3-ethoxy-4-prop-2-ynoxyphenyl)propanethioamide Traditional Name: N-(4-chlorobenzyl)-3-(3-ethoxy-4-propargyloxy-phenyl)thiopropionamide Formula: C21H22ClNO2S MolecularWeight: 387.92288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CCC(=S)NCC2=CC=C(C=C2)Cl)OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)CCC(=S)NCC2=CC=C(C=C2)Cl)OCC#C

InChI

InChI=1S/C21H22ClNO2S/c1-3-13-25-19-11-7-16(14-20(19)24-4-2)8-12-21(26)23-15-17-5-9-18(22)10-6-17/h1,5-7,9-11,14H,4,8,12-13,15H2,2H3,(H,23,26)