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

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] N-phenylpiperidine-1-carboximidothioate Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl] N-phenylpiperidine-1-carboximidothioate CAS Name: N-phenyl-1-piperidinecarboximidothioic acid [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] N-phenylpiperidine-1-carboximidothioate Traditional Name: N-phenylpiperidine-1-carboximidothioic acid [2-keto-2-(piazthiol-4-ylamino)ethyl] ester Formula: C20H21N5OS2 MolecularWeight: 411.54364

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=CC=CC4=NSN=C43

Isomeric SMILES

C1CCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=CC=CC4=NSN=C43

InChI

InChI=1S/C20H21N5OS2/c26-18(22-16-10-7-11-17-19(16)24-28-23-17)14-27-20(25-12-5-2-6-13-25)21-15-8-3-1-4-9-15/h1,3-4,7-11H,2,5-6,12-14H2,(H,22,26)