N1,N3-bis[3-azanyl-2-(2-azanylethylsulfanyl)-5-tert-butyl-phenyl]-4,6-bis(2-azanylethoxy)benzene-1,3-dicarboxamide

Systemtic Name: N1,N3-bis[3-azanyl-2-(2-azanylethylsulfanyl)-5-tert-butyl-phenyl]-4,6-bis(2-azanylethoxy)benzene-1,3-dicarboxamide Openeye Name: N1,N3-bis[3-amino-2-(2-aminoethylsulfanyl)-5-tert-butyl-phenyl]-4,6-bis(2-aminoethoxy)benzene-1,3-dicarboxamide CAS Name: N1,N3-bis[3-amino-2-(2-aminoethylthio)-5-tert-butylphenyl]-4,6-bis(2-aminoethoxy)benzene-1,3-dicarboxamide IUPAC Name: 1-N,3-N-bis[3-amino-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]-4,6-bis(2-aminoethoxy)benzene-1,3-dicarboxamide Traditional Name: N,N'-bis[3-amino-2-(2-aminoethylthio)-5-tert-butyl-phenyl]-4,6-bis(2-aminoethoxy)isophthalamide Formula: C36H54N8O4S2 MolecularWeight: 726.99516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)NC(=O)C2=CC(=C(C=C2OCCN)OCCN)C(=O)NC3=CC(=CC(=C3SCCN)N)C(C)(C)C)SCCN)N

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)NC(=O)C2=CC(=C(C=C2OCCN)OCCN)C(=O)NC3=CC(=CC(=C3SCCN)N)C(C)(C)C)SCCN)N

InChI

InChI=1S/C36H54N8O4S2/c1-35(2,3)21-15-25(41)31(49-13-9-39)27(17-21)43-33(45)23-19-24(30(48-12-8-38)20-29(23)47-11-7-37)34(46)44-28-18-22(36(4,5)6)16-26(42)32(28)50-14-10-40/h15-20H,7-14,37-42H2,1-6H3,(H,43,45)(H,44,46)