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

Systemtic Name: N1,N3-bis[3-azanyl-2-(2-azanylethylsulfanyl)-5-tert-butyl-phenyl]benzene-1,3-dicarboxamide Openeye Name: N1,N3-bis[3-amino-2-(2-aminoethylsulfanyl)-5-tert-butyl-phenyl]benzene-1,3-dicarboxamide CAS Name: N1,N3-bis[3-amino-2-(2-aminoethylthio)-5-tert-butylphenyl]benzene-1,3-dicarboxamide IUPAC Name: 1-N,3-N-bis[3-amino-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]benzene-1,3-dicarboxamide Traditional Name: N,N'-bis[3-amino-2-(2-aminoethylthio)-5-tert-butyl-phenyl]isophthalamide Formula: C32H44N6O2S2 MolecularWeight: 608.86076

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C32H44N6O2S2/c1-31(2,3)21-15-23(35)27(41-12-10-33)25(17-21)37-29(39)19-8-7-9-20(14-19)30(40)38-26-18-22(32(4,5)6)16-24(36)28(26)42-13-11-34/h7-9,14-18H,10-13,33-36H2,1-6H3,(H,37,39)(H,38,40)