methyl (4R,5R)-1-butyl-4,5-bis(4-chlorophenyl)-2-sulfanylidene-imidazolidine-4-carboxylate

Systemtic Name: methyl (4R,5R)-1-butyl-4,5-bis(4-chlorophenyl)-2-sulfanylidene-imidazolidine-4-carboxylate Openeye Name: methyl (4R,5R)-1-butyl-4,5-bis(4-chlorophenyl)-2-thioxo-imidazolidine-4-carboxylate CAS Name: (4R,5R)-1-butyl-4,5-bis(4-chlorophenyl)-2-sulfanylidene-4-imidazolidinecarboxylic acid methyl ester IUPAC Name: methyl (4R,5R)-1-butyl-4,5-bis(4-chlorophenyl)-2-sulfanylideneimidazolidine-4-carboxylate Traditional Name: (4R,5R)-1-butyl-4,5-bis(4-chlorophenyl)-2-thioxo-imidazolidine-4-carboxylic acid methyl ester Formula: C21H22Cl2N2O2S MolecularWeight: 437.38258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(NC1=S)(C2=CC=C(C=C2)Cl)C(=O)OC)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCN1[C@@H]([C@](NC1=S)(C2=CC=C(C=C2)Cl)C(=O)OC)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22Cl2N2O2S/c1-3-4-13-25-18(14-5-9-16(22)10-6-14)21(19(26)27-2,24-20(25)28)15-7-11-17(23)12-8-15/h5-12,18H,3-4,13H2,1-2H3,(H,24,28)/t18-,21-/m1/s1