6-[[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]oxy]-N-methyl-N-prop-2-enyl-hexan-1-amine; (E)-but-2-enedioic acid

Systemtic Name: 6-[[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]oxy]-N-methyl-N-prop-2-enyl-hexan-1-amine; (E)-but-2-enedioic acid Openeye Name: N-allyl-6-[[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]oxy]-N-methyl-hexan-1-amine; fumaric acid CAS Name: 6-[[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]oxy]-N-methyl-N-prop-2-enyl-1-hexanamine; (E)-2-butenedioic acid IUPAC Name: 6-[[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]oxy]-N-methyl-N-prop-2-enylhexan-1-amine; (E)-but-2-enedioic acid Traditional Name: allyl-[6-[[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]oxy]hexyl]-methyl-amine; fumaric acid Formula: C27H31BrN2O5S MolecularWeight: 575.51444

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCCCOC1=CC2=C(C=C1)C(=NS2)C3=CC=C(C=C3)Br)CC=C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(CCCCCCOC1=CC2=C(C=C1)C(=NS2)C3=CC=C(C=C3)Br)CC=C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C23H27BrN2OS.C4H4O4/c1-3-14-26(2)15-6-4-5-7-16-27-20-12-13-21-22(17-20)28-25-23(21)18-8-10-19(24)11-9-18;5-3(6)1-2-4(7)8/h3,8-13,17H,1,4-7,14-16H2,2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+