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

Systemtic Name: [3-(cyclohexylmethylsulfanyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]carbamic acid Openeye Name: [1-(cyclohexylmethylsulfanylmethyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]carbamic acid CAS Name: [3-(cyclohexylmethylthio)-1-[4-(4-methoxyphenyl)-1-piperazinyl]-1-oxopropan-2-yl]carbamic acid IUPAC Name: [3-(cyclohexylmethylsulfanyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]carbamic acid Traditional Name: [1-[(cyclohexylmethylthio)methyl]-2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl]carbamic acid Formula: C22H33N3O4S MolecularWeight: 435.58012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C(CSCC3CCCCC3)NC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C(CSCC3CCCCC3)NC(=O)O

InChI

InChI=1S/C22H33N3O4S/c1-29-19-9-7-18(8-10-19)24-11-13-25(14-12-24)21(26)20(23-22(27)28)16-30-15-17-5-3-2-4-6-17/h7-10,17,20,23H,2-6,11-16H2,1H3,(H,27,28)