[2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] N-phenylmorpholine-4-carboximidothioate

Systemtic Name: [2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] N-phenylmorpholine-4-carboximidothioate Openeye Name: [2-(3,5-dimethoxyanilino)-2-oxo-ethyl] N-phenylmorpholine-4-carboximidothioate CAS Name: N-phenyl-4-morpholinecarboximidothioic acid [2-(3,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethoxyanilino)-2-oxoethyl] N-phenylmorpholine-4-carboximidothioate Traditional Name: N-phenylmorpholine-4-carboximidothioic acid [2-(3,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)CSC(=NC2=CC=CC=C2)N3CCOCC3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)CSC(=NC2=CC=CC=C2)N3CCOCC3)OC

InChI

InChI=1S/C21H25N3O4S/c1-26-18-12-17(13-19(14-18)27-2)22-20(25)15-29-21(24-8-10-28-11-9-24)23-16-6-4-3-5-7-16/h3-7,12-14H,8-11,15H2,1-2H3,(H,22,25)