[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] N-phenylpiperidine-1-carboximidothioate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] N-phenylpiperidine-1-carboximidothioate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl] N-phenylpiperidine-1-carboximidothioate CAS Name: N-phenyl-1-piperidinecarboximidothioic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] N-phenylpiperidine-1-carboximidothioate Traditional Name: N-phenylpiperidine-1-carboximidothioic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl] ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H25N3O3S/c26-21(23-18-9-10-19-20(15-18)28-14-13-27-19)16-29-22(25-11-5-2-6-12-25)24-17-7-3-1-4-8-17/h1,3-4,7-10,15H,2,5-6,11-14,16H2,(H,23,26)