3-(3-bromanylthiophen-2-yl)sulfanyl-3-cyclohexyl-N,N-dimethyl-propan-1-amine; octanedioic acid

Systemtic Name: 3-(3-bromanylthiophen-2-yl)sulfanyl-3-cyclohexyl-N,N-dimethyl-propan-1-amine; octanedioic acid Openeye Name: 3-[(3-bromo-2-thienyl)sulfanyl]-3-cyclohexyl-N,N-dimethyl-propan-1-amine; octanedioic acid CAS Name: 3-[(3-bromo-2-thiophenyl)thio]-3-cyclohexyl-N,N-dimethyl-1-propanamine; octanedioic acid IUPAC Name: 3-(3-bromothiophen-2-yl)sulfanyl-3-cyclohexyl-N,N-dimethylpropan-1-amine; octanedioic acid Traditional Name: [3-[(3-bromo-2-thienyl)thio]-3-cyclohexyl-propyl]-dimethyl-amine; suberic acid Formula: C23H38BrNO4S2 MolecularWeight: 536.58612

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(C1CCCCC1)SC2=C(C=CS2)Br.C(CCCC(=O)O)CCC(=O)O

Isomeric SMILES

CN(C)CCC(C1CCCCC1)SC2=C(C=CS2)Br.C(CCCC(=O)O)CCC(=O)O

InChI

InChI=1S/C15H24BrNS2.C8H14O4/c1-17(2)10-8-14(12-6-4-3-5-7-12)19-15-13(16)9-11-18-15;9-7(10)5-3-1-2-4-6-8(11)12/h9,11-12,14H,3-8,10H2,1-2H3;1-6H2,(H,9,10)(H,11,12)