[3-bromanyl-2-(4-ethylhexylamino)phenyl] N-tert-butyl-N-[(4-tert-butylphenyl)disulfanyl]carbamate

Systemtic Name: [3-bromanyl-2-(4-ethylhexylamino)phenyl] N-tert-butyl-N-[(4-tert-butylphenyl)disulfanyl]carbamate Openeye Name: [3-bromo-2-(4-ethylhexylamino)phenyl] N-tert-butyl-N-[(4-tert-butylphenyl)disulfanyl]carbamate CAS Name: N-tert-butyl-N-[(4-tert-butylphenyl)disulfanyl]carbamic acid [3-bromo-2-(4-ethylhexylamino)phenyl] ester IUPAC Name: [3-bromo-2-(4-ethylhexylamino)phenyl] N-tert-butyl-N-[(4-tert-butylphenyl)disulfanyl]carbamate Traditional Name: N-tert-butyl-N-[(4-tert-butylphenyl)disulfanyl]carbamic acid [3-bromo-2-(4-ethylhexylamino)phenyl] ester Formula: C29H43BrN2O2S2 MolecularWeight: 595.69792

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CCCNC1=C(C=CC=C1Br)OC(=O)N(C(C)(C)C)SSC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCC(CC)CCCNC1=C(C=CC=C1Br)OC(=O)N(C(C)(C)C)SSC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C29H43BrN2O2S2/c1-9-21(10-2)13-12-20-31-26-24(30)14-11-15-25(26)34-27(33)32(29(6,7)8)36-35-23-18-16-22(17-19-23)28(3,4)5/h11,14-19,21,31H,9-10,12-13,20H2,1-8H3