8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methyl-1-phenyl-4-thia-1,8-diazaspiro[4.5]decan-2-one; ethanedioic acid

Systemtic Name: 8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methyl-1-phenyl-4-thia-1,8-diazaspiro[4.5]decan-2-one; ethanedioic acid Openeye Name: 8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methyl-1-phenyl-4-thia-1,8-diazaspiro[4.5]decan-2-one; oxalic acid CAS Name: 8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methyl-1-phenyl-4-thia-1,8-diazaspiro[4.5]decan-2-one; oxalic acid IUPAC Name: 8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methyl-1-phenyl-4-thia-1,8-diazaspiro[4.5]decan-2-one; oxalic acid Traditional Name: 8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methyl-1-phenyl-4-thia-1,8-diazaspiro[4.5]decan-2-one; oxalic acid Formula: C25H28N2O7S MolecularWeight: 500.56402

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2(S1)CCN(CC2)CC3COC4=CC=CC=C4O3)C5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

CC1C(=O)N(C2(S1)CCN(CC2)CC3COC4=CC=CC=C4O3)C5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H26N2O3S.C2H2O4/c1-17-22(26)25(18-7-3-2-4-8-18)23(29-17)11-13-24(14-12-23)15-19-16-27-20-9-5-6-10-21(20)28-19;3-1(4)2(5)6/h2-10,17,19H,11-16H2,1H3;(H,3,4)(H,5,6)