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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)Cl

InChI

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