[3-(5-butoxy-1,3,4-thiadiazol-2-yl)-1-(5-ethynylnonan-5-yl)-2-oxidanylidene-1,3-diazinan-4-yl] N-cycloheptylcarbamate

Systemtic Name: [3-(5-butoxy-1,3,4-thiadiazol-2-yl)-1-(5-ethynylnonan-5-yl)-2-oxidanylidene-1,3-diazinan-4-yl] N-cycloheptylcarbamate Openeye Name: [3-(5-butoxy-1,3,4-thiadiazol-2-yl)-1-(1-butyl-1-ethynyl-pentyl)-2-oxo-hexahydropyrimidin-4-yl] N-cycloheptylcarbamate CAS Name: N-cycloheptylcarbamic acid [3-(5-butoxy-1,3,4-thiadiazol-2-yl)-1-(5-ethynylnonan-5-yl)-2-oxo-1,3-diazinan-4-yl] ester IUPAC Name: [3-(5-butoxy-1,3,4-thiadiazol-2-yl)-1-(5-ethynylnonan-5-yl)-2-oxo-1,3-diazinan-4-yl] N-cycloheptylcarbamate Traditional Name: N-cycloheptylcarbamic acid [3-(5-butoxy-1,3,4-thiadiazol-2-yl)-1-(1,1-dibutylprop-2-ynyl)-2-keto-hexahydropyrimidin-4-yl] ester Formula: C29H47N5O4S MolecularWeight: 561.77958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(C#C)N1CCC(N(C1=O)C2=NN=C(S2)OCCCC)OC(=O)NC3CCCCCC3

Isomeric SMILES

CCCCC(CCCC)(C#C)N1CCC(N(C1=O)C2=NN=C(S2)OCCCC)OC(=O)NC3CCCCCC3

InChI

InChI=1S/C29H47N5O4S/c1-5-9-19-29(8-4,20-10-6-2)33-21-18-24(38-26(35)30-23-16-14-12-13-15-17-23)34(28(33)36)25-31-32-27(39-25)37-22-11-7-3/h4,23-24H,5-7,9-22H2,1-3H3,(H,30,35)