S-[[1-[(4-cyano-1-methyl-piperidin-4-yl)amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]carbamoylamino] N,N-diethylcarbamothioate

Systemtic Name: S-[[1-[(4-cyano-1-methyl-piperidin-4-yl)amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]carbamoylamino] N,N-diethylcarbamothioate Openeye Name: S-[[2-[(4-cyano-1-methyl-4-piperidyl)amino]-1-(cyclohexylmethyl)-2-oxo-ethyl]carbamoylamino] N,N-diethylcarbamothioate CAS Name: N,N-diethylcarbamothioic acid S-[[[[1-[(4-cyano-1-methyl-4-piperidinyl)amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-oxomethyl]amino] ester IUPAC Name: S-[[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]carbamoylamino] N,N-diethylcarbamothioate Traditional Name: N,N-diethylthiocarbamic acid S-[[2-[(4-cyano-1-methyl-4-piperidyl)amino]-1-(cyclohexylmethyl)-2-keto-ethyl]carbamoylamino] ester Formula: C22H38N6O3S MolecularWeight: 466.64052

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)SNC(=O)NC(CC1CCCCC1)C(=O)NC2(CCN(CC2)C)C#N

Isomeric SMILES

CCN(CC)C(=O)SNC(=O)NC(CC1CCCCC1)C(=O)NC2(CCN(CC2)C)C#N

InChI

InChI=1S/C22H38N6O3S/c1-4-28(5-2)21(31)32-26-20(30)24-18(15-17-9-7-6-8-10-17)19(29)25-22(16-23)11-13-27(3)14-12-22/h17-18H,4-15H2,1-3H3,(H,25,29)(H2,24,26,30)