2-cyano-3-[4-(diethylamino)-2-phenylmethoxy-phenyl]prop-2-enethioamide

Systemtic Name: 2-cyano-3-[4-(diethylamino)-2-phenylmethoxy-phenyl]prop-2-enethioamide Openeye Name: 3-[2-benzyloxy-4-(diethylamino)phenyl]-2-cyano-prop-2-enethioamide CAS Name: 2-cyano-3-[4-(diethylamino)-2-phenylmethoxyphenyl]-2-propenethioamide IUPAC Name: 2-cyano-3-[4-(diethylamino)-2-phenylmethoxyphenyl]prop-2-enethioamide Traditional Name: 3-[2-benzoxy-4-(diethylamino)phenyl]-2-cyano-thioacrylamide Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)C=C(C#N)C(=S)N)OCC2=CC=CC=C2

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)C=C(C#N)C(=S)N)OCC2=CC=CC=C2

InChI

InChI=1S/C21H23N3OS/c1-3-24(4-2)19-11-10-17(12-18(14-22)21(23)26)20(13-19)25-15-16-8-6-5-7-9-16/h5-13H,3-4,15H2,1-2H3,(H2,23,26)