[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] N-phenylpiperidine-1-carboximidothioate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] N-phenylpiperidine-1-carboximidothioate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] N-phenylpiperidine-1-carboximidothioate CAS Name: N-phenyl-1-piperidinecarboximidothioic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] N-phenylpiperidine-1-carboximidothioate Traditional Name: N-phenylpiperidine-1-carboximidothioic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC(=NC2=CC=CC=C2)N3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC(=NC2=CC=CC=C2)N3CCCCC3)OC

InChI

InChI=1S/C22H27N3O3S/c1-27-19-12-11-18(15-20(19)28-2)23-21(26)16-29-22(25-13-7-4-8-14-25)24-17-9-5-3-6-10-17/h3,5-6,9-12,15H,4,7-8,13-14,16H2,1-2H3,(H,23,26)