1-[3-(3,4-dihydro-2H-chromen-2-ylmethylamino)propyl]-1,3-diazinane-2-thione; ethanedioic acid

Systemtic Name: 1-[3-(3,4-dihydro-2H-chromen-2-ylmethylamino)propyl]-1,3-diazinane-2-thione; ethanedioic acid Openeye Name: 1-[3-(chroman-2-ylmethylamino)propyl]hexahydropyrimidine-2-thione; oxalic acid CAS Name: 1-[3-(3,4-dihydro-2H-1-benzopyran-2-ylmethylamino)propyl]-1,3-diazinane-2-thione; oxalic acid IUPAC Name: 1-[3-(3,4-dihydro-2H-chromen-2-ylmethylamino)propyl]-1,3-diazinane-2-thione; oxalic acid Traditional Name: 1-[3-(chroman-2-ylmethylamino)propyl]hexahydropyrimidine-2-thione; oxalic acid Formula: C19H27N3O5S MolecularWeight: 409.49978

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=S)N(C1)CCCNCC2CCC3=CC=CC=C3O2.C(=O)(C(=O)O)O

Isomeric SMILES

C1CNC(=S)N(C1)CCCNCC2CCC3=CC=CC=C3O2.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H25N3OS.C2H2O4/c22-17-19-10-4-12-20(17)11-3-9-18-13-15-8-7-14-5-1-2-6-16(14)21-15;3-1(4)2(5)6/h1-2,5-6,15,18H,3-4,7-13H2,(H,19,22);(H,3,4)(H,5,6)