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

Systemtic Name: N1,N3-bis[3-azanyl-2-[2-[bis(azanyl)methylideneamino]ethylsulfanyl]-5-tert-butyl-phenyl]-5-[2-[bis(azanyl)methylideneamino]ethoxy]benzene-1,3-dicarboxamide Openeye Name: N1,N3-bis[3-amino-5-tert-butyl-2-(2-guanidinoethylsulfanyl)phenyl]-5-(2-guanidinoethoxy)benzene-1,3-dicarboxamide CAS Name: N1,N3-bis[3-amino-5-tert-butyl-2-[2-(diaminomethylideneamino)ethylthio]phenyl]-5-[2-(diaminomethylideneamino)ethoxy]benzene-1,3-dicarboxamide IUPAC Name: 1-N,3-N-bis[3-amino-5-tert-butyl-2-[2-(diaminomethylideneamino)ethylsulfanyl]phenyl]-5-[2-(diaminomethylideneamino)ethoxy]benzene-1,3-dicarboxamide Traditional Name: N,N'-bis[3-amino-5-tert-butyl-2-(2-guanidinoethylthio)phenyl]-5-(2-guanidinoethoxy)isophthalamide Formula: C37H55N13O3S2 MolecularWeight: 794.0479

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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(N)N)C(=O)NC3=CC(=CC(=C3SCCN=C(N)N)N)C(C)(C)C)SCCN=C(N)N)N

Isomeric SMILES

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

InChI

InChI=1S/C37H55N13O3S2/c1-36(2,3)22-16-25(38)29(54-11-8-47-34(42)43)27(18-22)49-31(51)20-13-21(15-24(14-20)53-10-7-46-33(40)41)32(52)50-28-19-23(37(4,5)6)17-26(39)30(28)55-12-9-48-35(44)45/h13-19H,7-12,38-39H2,1-6H3,(H,49,51)(H,50,52)(H4,40,41,46)(H4,42,43,47)(H4,44,45,48)