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

Systemtic Name: [3-(cyclohexylmethylsulfanyl)-1-oxidanylidene-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]carbamic acid Openeye Name: [1-(cyclohexylmethylsulfanylmethyl)-2-oxo-2-[4-(4-pyridyl)piperazin-1-yl]ethyl]carbamic acid CAS Name: [3-(cyclohexylmethylthio)-1-oxo-1-(4-pyridin-4-yl-1-piperazinyl)propan-2-yl]carbamic acid IUPAC Name: [3-(cyclohexylmethylsulfanyl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]carbamic acid Traditional Name: [1-[(cyclohexylmethylthio)methyl]-2-keto-2-[4-(4-pyridyl)piperazino]ethyl]carbamic acid Formula: C20H30N4O3S MolecularWeight: 406.5422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O3S/c25-19(24-12-10-23(11-13-24)17-6-8-21-9-7-17)18(22-20(26)27)15-28-14-16-4-2-1-3-5-16/h6-9,16,18,22H,1-5,10-15H2,(H,26,27)