2,4-bis[(4-phenylsulfanylphenyl)methyl-propyl-carbamoyl]cyclobutane-1,3-dicarboxylic acid

Systemtic Name: 2,4-bis[(4-phenylsulfanylphenyl)methyl-propyl-carbamoyl]cyclobutane-1,3-dicarboxylic acid Openeye Name: 2,4-bis[(4-phenylsulfanylphenyl)methyl-propyl-carbamoyl]cyclobutane-1,3-dicarboxylic acid CAS Name: 2,4-bis[oxo-[[4-(phenylthio)phenyl]methyl-propylamino]methyl]cyclobutane-1,3-dicarboxylic acid IUPAC Name: 2,4-bis[(4-phenylsulfanylphenyl)methyl-propylcarbamoyl]cyclobutane-1,3-dicarboxylic acid Traditional Name: 2,4-bis[[4-(phenylthio)benzyl]-propyl-carbamoyl]cyclobutane-1,3-dicarboxylic acid Formula: C40H42N2O6S2 MolecularWeight: 710.90128

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)SC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)C(=O)N(CCC)CC4=CC=C(C=C4)SC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)SC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)C(=O)N(CCC)CC4=CC=C(C=C4)SC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C40H42N2O6S2/c1-3-23-41(25-27-15-19-31(20-16-27)49-29-11-7-5-8-12-29)37(43)33-35(39(45)46)34(36(33)40(47)48)38(44)42(24-4-2)26-28-17-21-32(22-18-28)50-30-13-9-6-10-14-30/h5-22,33-36H,3-4,23-26H2,1-2H3,(H,45,46)(H,47,48)