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

Systemtic Name: N1,N3-bis[3-azanyl-2-(2-azanylethylsulfanyl)-5-tert-butyl-phenyl]-5-(2-azanylethoxy)benzene-1,3-dicarboxamide Openeye Name: N1,N3-bis[3-amino-2-(2-aminoethylsulfanyl)-5-tert-butyl-phenyl]-5-(2-aminoethoxy)benzene-1,3-dicarboxamide CAS Name: N1,N3-bis[3-amino-2-(2-aminoethylthio)-5-tert-butylphenyl]-5-(2-aminoethoxy)benzene-1,3-dicarboxamide IUPAC Name: 1-N,3-N-bis[3-amino-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]-5-(2-aminoethoxy)benzene-1,3-dicarboxamide Traditional Name: N,N'-bis[3-amino-2-(2-aminoethylthio)-5-tert-butyl-phenyl]-5-(2-aminoethoxy)isophthalamide Formula: C34H49N7O3S2 MolecularWeight: 667.92796

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C34H49N7O3S2/c1-33(2,3)22-16-25(38)29(45-11-8-36)27(18-22)40-31(42)20-13-21(15-24(14-20)44-10-7-35)32(43)41-28-19-23(34(4,5)6)17-26(39)30(28)46-12-9-37/h13-19H,7-12,35-39H2,1-6H3,(H,40,42)(H,41,43)