[2-[(3-cyano-4,5-dimethyl-furan-2-yl)amino]-2-oxidanylidene-ethyl] N-phenylmorpholine-4-carboximidothioate

Systemtic Name: [2-[(3-cyano-4,5-dimethyl-furan-2-yl)amino]-2-oxidanylidene-ethyl] N-phenylmorpholine-4-carboximidothioate Openeye Name: [2-[(3-cyano-4,5-dimethyl-2-furyl)amino]-2-oxo-ethyl] N-phenylmorpholine-4-carboximidothioate CAS Name: N-phenyl-4-morpholinecarboximidothioic acid [2-[(3-cyano-4,5-dimethyl-2-furanyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl] N-phenylmorpholine-4-carboximidothioate Traditional Name: N-phenylmorpholine-4-carboximidothioic acid [2-[(3-cyano-4,5-dimethyl-2-furyl)amino]-2-keto-ethyl] ester Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1C#N)NC(=O)CSC(=NC2=CC=CC=C2)N3CCOCC3)C

Isomeric SMILES

CC1=C(OC(=C1C#N)NC(=O)CSC(=NC2=CC=CC=C2)N3CCOCC3)C

InChI

InChI=1S/C20H22N4O3S/c1-14-15(2)27-19(17(14)12-21)23-18(25)13-28-20(24-8-10-26-11-9-24)22-16-6-4-3-5-7-16/h3-7H,8-11,13H2,1-2H3,(H,23,25)