1-[2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-[2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide Openeye Name: 1-[2-(3,4-dichloroanilino)-2-oxo-ethyl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide CAS Name: 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-[2-(methylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: 1-[2-(3,4-dichloroanilino)-2-keto-ethyl]-N-[2-(methylthio)phenyl]isonipecotamide Formula: C21H23Cl2N3O2S MolecularWeight: 452.39722

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H23Cl2N3O2S/c1-29-19-5-3-2-4-18(19)25-21(28)14-8-10-26(11-9-14)13-20(27)24-15-6-7-16(22)17(23)12-15/h2-7,12,14H,8-11,13H2,1H3,(H,24,27)(H,25,28)