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

Systemtic Name: N1,N3-bis[2-(2-azanylethylsulfanyl)-5-tert-butyl-phenyl]benzene-1,3-dicarboxamide Openeye Name: N1,N3-bis[2-(2-aminoethylsulfanyl)-5-tert-butyl-phenyl]benzene-1,3-dicarboxamide CAS Name: N1,N3-bis[2-(2-aminoethylthio)-5-tert-butylphenyl]benzene-1,3-dicarboxamide IUPAC Name: 1-N,3-N-bis[2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]benzene-1,3-dicarboxamide Traditional Name: N,N'-bis[2-(2-aminoethylthio)-5-tert-butyl-phenyl]isophthalamide Formula: C32H42N4O2S2 MolecularWeight: 578.83148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)SCCN)NC(=O)C2=CC(=CC=C2)C(=O)NC3=C(C=CC(=C3)C(C)(C)C)SCCN

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)SCCN)NC(=O)C2=CC(=CC=C2)C(=O)NC3=C(C=CC(=C3)C(C)(C)C)SCCN

InChI

InChI=1S/C32H42N4O2S2/c1-31(2,3)23-10-12-27(39-16-14-33)25(19-23)35-29(37)21-8-7-9-22(18-21)30(38)36-26-20-24(32(4,5)6)11-13-28(26)40-17-15-34/h7-13,18-20H,14-17,33-34H2,1-6H3,(H,35,37)(H,36,38)