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

Systemtic Name: [3-(cyclohexylmethylsulfanyl)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]carbamic acid Openeye Name: [2-(4-benzylpiperazin-1-yl)-1-(cyclohexylmethylsulfanylmethyl)-2-oxo-ethyl]carbamic acid CAS Name: [3-(cyclohexylmethylthio)-1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl]carbamic acid IUPAC Name: [1-(4-benzylpiperazin-1-yl)-3-(cyclohexylmethylsulfanyl)-1-oxopropan-2-yl]carbamic acid Traditional Name: [2-(4-benzylpiperazino)-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)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)O

Isomeric SMILES

C1CCC(CC1)CSCC(C(=O)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)O

InChI

InChI=1S/C22H33N3O3S/c26-21(20(23-22(27)28)17-29-16-19-9-5-2-6-10-19)25-13-11-24(12-14-25)15-18-7-3-1-4-8-18/h1,3-4,7-8,19-20,23H,2,5-6,9-17H2,(H,27,28)