1-[4-(dibutylamino)-3,5-bis(1-sulfanylbutyl)phenyl]butane-1-thiol

Systemtic Name: 1-[4-(dibutylamino)-3,5-bis(1-sulfanylbutyl)phenyl]butane-1-thiol Openeye Name: 1-[4-(dibutylamino)-3,5-bis(1-sulfanylbutyl)phenyl]butane-1-thiol CAS Name: 1-[4-(dibutylamino)-3,5-bis(1-mercaptobutyl)phenyl]-1-butanethiol IUPAC Name: 1-[4-(dibutylamino)-3,5-bis(1-sulfanylbutyl)phenyl]butane-1-thiol Traditional Name: 1-[4-(dibutylamino)-3,5-bis(1-mercaptobutyl)phenyl]butane-1-thiol Formula: C26H47NS3 MolecularWeight: 469.85308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=C(C=C(C=C1C(CCC)S)C(CCC)S)C(CCC)S

Isomeric SMILES

CCCCN(CCCC)C1=C(C=C(C=C1C(CCC)S)C(CCC)S)C(CCC)S

InChI

InChI=1S/C26H47NS3/c1-6-11-16-27(17-12-7-2)26-21(24(29)14-9-4)18-20(23(28)13-8-3)19-22(26)25(30)15-10-5/h18-19,23-25,28-30H,6-17H2,1-5H3