N-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]cyclohexanamine; ethanedioic acid

Systemtic Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]cyclohexanamine; ethanedioic acid Openeye Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]cyclohexanamine; oxalic acid CAS Name: N-[3-(1,3-benzothiazol-2-ylthio)propyl]cyclohexanamine; oxalic acid IUPAC Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]cyclohexanamine; oxalic acid Traditional Name: 3-(1,3-benzothiazol-2-ylthio)propyl-cyclohexyl-amine; oxalic acid Formula: C18H24N2O4S2 MolecularWeight: 396.52416

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NCCCSC2=NC3=CC=CC=C3S2.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCC(CC1)NCCCSC2=NC3=CC=CC=C3S2.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H22N2S2.C2H2O4/c1-2-7-13(8-3-1)17-11-6-12-19-16-18-14-9-4-5-10-15(14)20-16;3-1(4)2(5)6/h4-5,9-10,13,17H,1-3,6-8,11-12H2;(H,3,4)(H,5,6)