pentyl N-[5-ethyl-5-(1H-imidazol-2-ylsulfanyl)-6-methyl-4-propan-2-yl-heptyl]carbamate

Systemtic Name: pentyl N-[5-ethyl-5-(1H-imidazol-2-ylsulfanyl)-6-methyl-4-propan-2-yl-heptyl]carbamate Openeye Name: pentyl N-[5-ethyl-5-(1H-imidazol-2-ylsulfanyl)-4-isopropyl-6-methyl-heptyl]carbamate CAS Name: N-[5-ethyl-5-(1H-imidazol-2-ylthio)-6-methyl-4-propan-2-ylheptyl]carbamic acid pentyl ester IUPAC Name: pentyl N-[5-ethyl-5-(1H-imidazol-2-ylsulfanyl)-6-methyl-4-propan-2-ylheptyl]carbamate Traditional Name: N-[5-ethyl-5-(1H-imidazol-2-ylthio)-4-isopropyl-6-methyl-heptyl]carbamic acid amyl ester Formula: C22H41N3O2S MolecularWeight: 411.64484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)NCCCC(C(C)C)C(CC)(C(C)C)SC1=NC=CN1

Isomeric SMILES

CCCCCOC(=O)NCCCC(C(C)C)C(CC)(C(C)C)SC1=NC=CN1

InChI

InChI=1S/C22H41N3O2S/c1-7-9-10-16-27-21(26)25-13-11-12-19(17(3)4)22(8-2,18(5)6)28-20-23-14-15-24-20/h14-15,17-19H,7-13,16H2,1-6H3,(H,23,24)(H,25,26)