N-ethyl-N-[6-methyl-7,7-bis(oxidanylidene)-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-2-[methyl-[(E)-N'-(triphenylmethyl)sulfanylcarbamimidoyl]amino]ethanamide

Systemtic Name: N-ethyl-N-[6-methyl-7,7-bis(oxidanylidene)-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-2-[methyl-[(E)-N'-(triphenylmethyl)sulfanylcarbamimidoyl]amino]ethanamide Openeye Name: N-ethyl-N-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)-2-[methyl-[(E)-N'-tritylsulfanylcarbamimidoyl]amino]acetamide CAS Name: 2-[[(E)-amino-[(triphenylmethyl)thio]iminomethyl]-methylamino]-N-ethyl-N-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide IUPAC Name: N-ethyl-N-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)-2-[methyl-[(E)-N'-tritylsulfanylcarbamimidoyl]amino]acetamide Traditional Name: N-(7,7-diketo-6-methyl-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)-N-ethyl-2-[methyl-[(E)-N'-(tritylthio)amidino]amino]acetamide Formula: C33H37N5O5S4 MolecularWeight: 711.93738

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CC(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)C)C(=O)CN(C)C(=NSC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)N

Isomeric SMILES

CCN(C1CC(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)C)C(=O)CN(C)/C(=N/SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)/N

InChI

InChI=1S/C33H37N5O5S4/c1-4-38(28-20-23(2)46(40,41)31-27(28)21-30(44-31)47(35,42)43)29(39)22-37(3)32(34)36-45-33(24-14-8-5-9-15-24,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,21,23,28H,4,20,22H2,1-3H3,(H2,34,36)(H2,35,42,43)