1-[2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[2-[2-(cyclohexylmethylamino)-2-oxo-ethyl]sulfanylbenzoyl]piperidine-4-carboxamide CAS Name: 1-[[2-[[2-(cyclohexylmethylamino)-2-oxoethyl]thio]phenyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzoyl]piperidine-4-carboxamide Traditional Name: 1-[2-[[2-(cyclohexylmethylamino)-2-keto-ethyl]thio]benzoyl]isonipecotamide Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)CSC2=CC=CC=C2C(=O)N3CCC(CC3)C(=O)N

Isomeric SMILES

C1CCC(CC1)CNC(=O)CSC2=CC=CC=C2C(=O)N3CCC(CC3)C(=O)N

InChI

InChI=1S/C22H31N3O3S/c23-21(27)17-10-12-25(13-11-17)22(28)18-8-4-5-9-19(18)29-15-20(26)24-14-16-6-2-1-3-7-16/h4-5,8-9,16-17H,1-3,6-7,10-15H2,(H2,23,27)(H,24,26)