[3-(cyclohexylmethylsulfanyl)-1-oxidanylidene-1-(4-phenylazanylpiperidin-1-yl)propan-2-yl]carbamic acid

Systemtic Name: [3-(cyclohexylmethylsulfanyl)-1-oxidanylidene-1-(4-phenylazanylpiperidin-1-yl)propan-2-yl]carbamic acid Openeye Name: [2-(4-anilino-1-piperidyl)-1-(cyclohexylmethylsulfanylmethyl)-2-oxo-ethyl]carbamic acid CAS Name: [1-(4-anilino-1-piperidinyl)-3-(cyclohexylmethylthio)-1-oxopropan-2-yl]carbamic acid IUPAC Name: [1-(4-anilinopiperidin-1-yl)-3-(cyclohexylmethylsulfanyl)-1-oxopropan-2-yl]carbamic acid Traditional Name: [2-(4-anilinopiperidino)-1-[(cyclohexylmethylthio)methyl]-2-keto-ethyl]carbamic acid Formula: C22H33N3O3S MolecularWeight: 419.58072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CSCC(C(=O)N2CCC(CC2)NC3=CC=CC=C3)NC(=O)O

Isomeric SMILES

C1CCC(CC1)CSCC(C(=O)N2CCC(CC2)NC3=CC=CC=C3)NC(=O)O

InChI

InChI=1S/C22H33N3O3S/c26-21(20(24-22(27)28)16-29-15-17-7-3-1-4-8-17)25-13-11-19(12-14-25)23-18-9-5-2-6-10-18/h2,5-6,9-10,17,19-20,23-24H,1,3-4,7-8,11-16H2,(H,27,28)