[2-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl] N-phenylpiperidine-1-carboximidothioate

Systemtic Name: [2-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl] N-phenylpiperidine-1-carboximidothioate Openeye Name: [2-(2-benzoyl-4-chloro-anilino)-2-oxo-ethyl] N-phenylpiperidine-1-carboximidothioate CAS Name: N-phenyl-1-piperidinecarboximidothioic acid [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] N-phenylpiperidine-1-carboximidothioate Traditional Name: N-phenylpiperidine-1-carboximidothioic acid [2-(2-benzoyl-4-chloro-anilino)-2-keto-ethyl] ester Formula: C27H26ClN3O2S MolecularWeight: 492.03224

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H26ClN3O2S/c28-21-14-15-24(23(18-21)26(33)20-10-4-1-5-11-20)30-25(32)19-34-27(31-16-8-3-9-17-31)29-22-12-6-2-7-13-22/h1-2,4-7,10-15,18H,3,8-9,16-17,19H2,(H,30,32)