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

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] N-phenylpiperidine-1-carboximidothioate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] N-phenylpiperidine-1-carboximidothioate CAS Name: N-phenyl-1-piperidinecarboximidothioic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] N-phenylpiperidine-1-carboximidothioate Traditional Name: N-phenylpiperidine-1-carboximidothioic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C21H22N4OS2 MolecularWeight: 410.55558

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N4OS2/c26-19(24-20-23-17-11-5-6-12-18(17)28-20)15-27-21(25-13-7-2-8-14-25)22-16-9-3-1-4-10-16/h1,3-6,9-12H,2,7-8,13-15H2,(H,23,24,26)