(E)-2-cyano-3-morpholin-4-yl-3-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]-N-phenyl-prop-2-enethioamide

Systemtic Name: (E)-2-cyano-3-morpholin-4-yl-3-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]-N-phenyl-prop-2-enethioamide Openeye Name: (E)-2-cyano-3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]-3-morpholino-N-phenyl-prop-2-enethioamide CAS Name: (E)-2-cyano-3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]-3-(4-morpholinyl)-N-phenyl-2-propenethioamide IUPAC Name: (E)-2-cyano-3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]-3-morpholin-4-yl-N-phenylprop-2-enethioamide Traditional Name: (E)-2-cyano-3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]-3-morpholino-N-phenyl-thioacrylamide Formula: C22H22N6O3S MolecularWeight: 450.51348

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=C(C#N)C(=S)NC2=CC=CC=C2)NC(=C(C3=CC=CC=C3)NO)N=O

Isomeric SMILES

C1COCCN1/C(=C(\C#N)/C(=S)NC2=CC=CC=C2)/N/C(=C(/C3=CC=CC=C3)\NO)/N=O

InChI

InChI=1S/C22H22N6O3S/c23-15-18(22(32)24-17-9-5-2-6-10-17)21(28-11-13-31-14-12-28)25-20(27-30)19(26-29)16-7-3-1-4-8-16/h1-10,25-26,29H,11-14H2,(H,24,32)/b20-19+,21-18+