tert-butyl N-[4-[(E)-4-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-but-2-enyl]cyclohexyl]carbamate

Systemtic Name: tert-butyl N-[4-[(E)-4-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-but-2-enyl]cyclohexyl]carbamate Openeye Name: tert-butyl N-[4-[(E)-4-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-but-2-enyl]cyclohexyl]carbamate CAS Name: N-[4-[(E)-4-(1,3-benzothiazol-2-ylthio)-3-methylbut-2-enyl]cyclohexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[(E)-4-(1,3-benzothiazol-2-ylsulfanyl)-3-methylbut-2-enyl]cyclohexyl]carbamate Traditional Name: N-[4-[(E)-4-(1,3-benzothiazol-2-ylthio)-3-methyl-but-2-enyl]cyclohexyl]carbamic acid tert-butyl ester Formula: C23H32N2O2S2 MolecularWeight: 432.64238

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1CCC(CC1)NC(=O)OC(C)(C)C)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

C/C(=C\CC1CCC(CC1)NC(=O)OC(C)(C)C)/CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C23H32N2O2S2/c1-16(15-28-22-25-19-7-5-6-8-20(19)29-22)9-10-17-11-13-18(14-12-17)24-21(26)27-23(2,3)4/h5-9,17-18H,10-15H2,1-4H3,(H,24,26)/b16-9+