(E)-3-azanyl-2-cyano-3-morpholin-4-yl-N-(phenylmethyl)prop-2-enethioamide

Systemtic Name: (E)-3-azanyl-2-cyano-3-morpholin-4-yl-N-(phenylmethyl)prop-2-enethioamide Openeye Name: (E)-3-amino-N-benzyl-2-cyano-3-morpholino-prop-2-enethioamide CAS Name: (E)-3-amino-2-cyano-3-(4-morpholinyl)-N-(phenylmethyl)-2-propenethioamide IUPAC Name: (E)-3-amino-N-benzyl-2-cyano-3-morpholin-4-ylprop-2-enethioamide Traditional Name: (E)-3-amino-N-benzyl-2-cyano-3-morpholino-thioacrylamide Formula: C15H18N4OS MolecularWeight: 302.39462

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=C(C#N)C(=S)NCC2=CC=CC=C2)N

Isomeric SMILES

C1COCCN1/C(=C(\C#N)/C(=S)NCC2=CC=CC=C2)/N

InChI

InChI=1S/C15H18N4OS/c16-10-13(14(17)19-6-8-20-9-7-19)15(21)18-11-12-4-2-1-3-5-12/h1-5H,6-9,11,17H2,(H,18,21)/b14-13+