2-[[4-(dibutylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]butanedioic acid

Systemtic Name: 2-[[4-(dibutylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]butanedioic acid Openeye Name: 2-[[4-(dibutylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]butanedioic acid CAS Name: 2-[[[4-(dibutylamino)-1,3-benzothiazol-2-yl]thio]methyl]butanedioic acid IUPAC Name: 2-[[4-(dibutylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]butanedioic acid Traditional Name: 2-[[[4-(dibutylamino)-1,3-benzothiazol-2-yl]thio]methyl]succinic acid Formula: C20H28N2O4S2 MolecularWeight: 424.57732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=C2C(=CC=C1)SC(=N2)SCC(CC(=O)O)C(=O)O

Isomeric SMILES

CCCCN(CCCC)C1=C2C(=CC=C1)SC(=N2)SCC(CC(=O)O)C(=O)O

InChI

InChI=1S/C20H28N2O4S2/c1-3-5-10-22(11-6-4-2)15-8-7-9-16-18(15)21-20(28-16)27-13-14(19(25)26)12-17(23)24/h7-9,14H,3-6,10-13H2,1-2H3,(H,23,24)(H,25,26)