N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-1-(4-chlorophenyl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-1-(4-chlorophenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-1-(4-chlorobenzoyl)piperidine-4-carboxamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-1-[(4-chlorophenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-1-(4-chlorobenzoyl)piperidine-4-carboxamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-1-(4-chlorobenzoyl)isonipecotamide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC=C2SCC(=O)N)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC=C2SCC(=O)N)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN3O3S/c22-16-7-5-15(6-8-16)21(28)25-11-9-14(10-12-25)20(27)24-17-3-1-2-4-18(17)29-13-19(23)26/h1-8,14H,9-13H2,(H2,23,26)(H,24,27)