1,3-bis[3-azanyl-2-(2-azanylethylsulfanyl)-5-tert-butyl-phenyl]urea

Systemtic Name: 1,3-bis[3-azanyl-2-(2-azanylethylsulfanyl)-5-tert-butyl-phenyl]urea Openeye Name: 1,3-bis[3-amino-2-(2-aminoethylsulfanyl)-5-tert-butyl-phenyl]urea CAS Name: 1,3-bis[3-amino-2-(2-aminoethylthio)-5-tert-butylphenyl]urea IUPAC Name: 1,3-bis[3-amino-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]urea Traditional Name: 1,3-bis[3-amino-2-(2-aminoethylthio)-5-tert-butyl-phenyl]urea Formula: C25H40N6OS2 MolecularWeight: 504.7547

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)NC(=O)NC2=CC(=CC(=C2SCCN)N)C(C)(C)C)SCCN)N

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)NC(=O)NC2=CC(=CC(=C2SCCN)N)C(C)(C)C)SCCN)N

InChI

InChI=1S/C25H40N6OS2/c1-24(2,3)15-11-17(28)21(33-9-7-26)19(13-15)30-23(32)31-20-14-16(25(4,5)6)12-18(29)22(20)34-10-8-27/h11-14H,7-10,26-29H2,1-6H3,(H2,30,31,32)