[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] N-phenylpiperidine-1-carboximidothioate

Systemtic Name: [2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] N-phenylpiperidine-1-carboximidothioate Openeye Name: [2-(3-chloro-4-methoxy-anilino)-2-oxo-ethyl] N-phenylpiperidine-1-carboximidothioate CAS Name: N-phenyl-1-piperidinecarboximidothioic acid [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] N-phenylpiperidine-1-carboximidothioate Traditional Name: N-phenylpiperidine-1-carboximidothioic acid [2-(3-chloro-4-methoxy-anilino)-2-keto-ethyl] ester Formula: C21H24ClN3O2S MolecularWeight: 417.95216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O2S/c1-27-19-11-10-17(14-18(19)22)23-20(26)15-28-21(25-12-6-3-7-13-25)24-16-8-4-2-5-9-16/h2,4-5,8-11,14H,3,6-7,12-13,15H2,1H3,(H,23,26)