[2-[(3-cyano-4,5-dimethyl-furan-2-yl)amino]-2-oxidanylidene-ethyl] N-phenylazepane-1-carboximidothioate

Systemtic Name: [2-[(3-cyano-4,5-dimethyl-furan-2-yl)amino]-2-oxidanylidene-ethyl] N-phenylazepane-1-carboximidothioate Openeye Name: [2-[(3-cyano-4,5-dimethyl-2-furyl)amino]-2-oxo-ethyl] N-phenylazepane-1-carboximidothioate CAS Name: N-phenyl-1-azepanecarboximidothioic 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-phenylazepane-1-carboximidothioate Traditional Name: N-phenylazepane-1-carboximidothioic acid [2-[(3-cyano-4,5-dimethyl-2-furyl)amino]-2-keto-ethyl] ester Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1C#N)NC(=O)CSC(=NC2=CC=CC=C2)N3CCCCCC3)C

Isomeric SMILES

CC1=C(OC(=C1C#N)NC(=O)CSC(=NC2=CC=CC=C2)N3CCCCCC3)C

InChI

InChI=1S/C22H26N4O2S/c1-16-17(2)28-21(19(16)14-23)25-20(27)15-29-22(24-18-10-6-5-7-11-18)26-12-8-3-4-9-13-26/h5-7,10-11H,3-4,8-9,12-13,15H2,1-2H3,(H,25,27)