2,3-bis(5-phenethyl-2-sulfanylidene-1,3,5-thiadiazinan-3-yl)propanoic acid

Systemtic Name: 2,3-bis(5-phenethyl-2-sulfanylidene-1,3,5-thiadiazinan-3-yl)propanoic acid Openeye Name: 2,3-bis(5-phenethyl-2-thioxo-1,3,5-thiadiazinan-3-yl)propanoic acid CAS Name: 2,3-bis(5-phenethyl-2-sulfanylidene-1,3,5-thiadiazinan-3-yl)propanoic acid IUPAC Name: 2,3-bis(5-phenethyl-2-sulfanylidene-1,3,5-thiadiazinan-3-yl)propanoic acid Traditional Name: 2,3-bis(5-phenethyl-2-thioxo-1,3,5-thiadiazinan-3-yl)propionic acid Formula: C25H30N4O2S4 MolecularWeight: 546.7913

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Descriptors Computed from Structure

Canonical SMILES:

C1N(CSC(=S)N1CC(C(=O)O)N2CN(CSC2=S)CCC3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

C1N(CSC(=S)N1CC(C(=O)O)N2CN(CSC2=S)CCC3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2S4/c30-23(31)22(29-17-27(19-35-25(29)33)14-12-21-9-5-2-6-10-21)15-28-16-26(18-34-24(28)32)13-11-20-7-3-1-4-8-20/h1-10,22H,11-19H2,(H,30,31)