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

Systemtic Name: [2-[(3-cyano-4,5-dimethyl-furan-2-yl)amino]-2-oxidanylidene-ethyl] N-phenylpiperidine-1-carboximidothioate Openeye Name: [2-[(3-cyano-4,5-dimethyl-2-furyl)amino]-2-oxo-ethyl] N-phenylpiperidine-1-carboximidothioate CAS Name: N-phenyl-1-piperidinecarboximidothioic 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-phenylpiperidine-1-carboximidothioate Traditional Name: N-phenylpiperidine-1-carboximidothioic acid [2-[(3-cyano-4,5-dimethyl-2-furyl)amino]-2-keto-ethyl] ester Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1C#N)NC(=O)CSC(=NC2=CC=CC=C2)N3CCCCC3)C

Isomeric SMILES

CC1=C(OC(=C1C#N)NC(=O)CSC(=NC2=CC=CC=C2)N3CCCCC3)C

InChI

InChI=1S/C21H24N4O2S/c1-15-16(2)27-20(18(15)13-22)24-19(26)14-28-21(25-11-7-4-8-12-25)23-17-9-5-3-6-10-17/h3,5-6,9-10H,4,7-8,11-12,14H2,1-2H3,(H,24,26)