N1,N3-bis[3-acetamido-2-(2-azanylethylsulfanyl)-5-tert-butyl-phenyl]-5-(2-azanylethoxy)benzene-1,3-dicarboxamide

Systemtic Name: N1,N3-bis[3-acetamido-2-(2-azanylethylsulfanyl)-5-tert-butyl-phenyl]-5-(2-azanylethoxy)benzene-1,3-dicarboxamide Openeye Name: N1,N3-bis[3-acetamido-2-(2-aminoethylsulfanyl)-5-tert-butyl-phenyl]-5-(2-aminoethoxy)benzene-1,3-dicarboxamide CAS Name: N1,N3-bis[3-acetamido-2-(2-aminoethylthio)-5-tert-butylphenyl]-5-(2-aminoethoxy)benzene-1,3-dicarboxamide IUPAC Name: 1-N,3-N-bis[3-acetamido-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]-5-(2-aminoethoxy)benzene-1,3-dicarboxamide Traditional Name: N,N'-bis[3-acetamido-2-(2-aminoethylthio)-5-tert-butyl-phenyl]-5-(2-aminoethoxy)isophthalamide Formula: C38H53N7O5S2 MolecularWeight: 752.00132

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1SCCN)NC(=O)C2=CC(=CC(=C2)OCCN)C(=O)NC3=C(C(=CC(=C3)C(C)(C)C)NC(=O)C)SCCN)C(C)(C)C

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1SCCN)NC(=O)C2=CC(=CC(=C2)OCCN)C(=O)NC3=C(C(=CC(=C3)C(C)(C)C)NC(=O)C)SCCN)C(C)(C)C

InChI

InChI=1S/C38H53N7O5S2/c1-22(46)42-29-18-26(37(3,4)5)20-31(33(29)51-13-10-40)44-35(48)24-15-25(17-28(16-24)50-12-9-39)36(49)45-32-21-27(38(6,7)8)19-30(43-23(2)47)34(32)52-14-11-41/h15-21H,9-14,39-41H2,1-8H3,(H,42,46)(H,43,47)(H,44,48)(H,45,49)