1-[(2,2-diphenyl-1,3-dithiolan-4-yl)methyl]-4-(2-methoxyphenyl)piperazine; ethanedioic acid

Systemtic Name: 1-[(2,2-diphenyl-1,3-dithiolan-4-yl)methyl]-4-(2-methoxyphenyl)piperazine; ethanedioic acid Openeye Name: 1-[(2,2-diphenyl-1,3-dithiolan-4-yl)methyl]-4-(2-methoxyphenyl)piperazine; oxalic acid CAS Name: 1-[(2,2-diphenyl-1,3-dithiolan-4-yl)methyl]-4-(2-methoxyphenyl)piperazine; oxalic acid IUPAC Name: 1-[(2,2-diphenyl-1,3-dithiolan-4-yl)methyl]-4-(2-methoxyphenyl)piperazine; oxalic acid Traditional Name: 1-[(2,2-diphenyl-1,3-dithiolan-4-yl)methyl]-4-(2-methoxyphenyl)piperazine; oxalic acid Formula: C29H32N2O5S2 MolecularWeight: 552.70478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CC3CSC(S3)(C4=CC=CC=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CC3CSC(S3)(C4=CC=CC=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H30N2OS2.C2H2O4/c1-30-26-15-9-8-14-25(26)29-18-16-28(17-19-29)20-24-21-31-27(32-24,22-10-4-2-5-11-22)23-12-6-3-7-13-23;3-1(4)2(5)6/h2-15,24H,16-21H2,1H3;(H,3,4)(H,5,6)