2-[[4-azanyl-2-[[7-(4-azanylbutylamino)heptylamino]methyl]butyl]-phenyl-amino]ethanethial

Systemtic Name: 2-[[4-azanyl-2-[[7-(4-azanylbutylamino)heptylamino]methyl]butyl]-phenyl-amino]ethanethial Openeye Name: 2-(N-[4-amino-2-[[7-(4-aminobutylamino)heptylamino]methyl]butyl]anilino)ethanethial CAS Name: 2-(N-[4-amino-2-[[7-(4-aminobutylamino)heptylamino]methyl]butyl]anilino)ethanethial IUPAC Name: 2-(N-[4-amino-2-[[7-(4-aminobutylamino)heptylamino]methyl]butyl]anilino)ethanethial Traditional Name: 2-(N-[4-amino-2-[[7-(4-aminobutylamino)heptylamino]methyl]butyl]anilino)thioacetaldehyde Formula: C24H45N5S MolecularWeight: 435.7126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC=S)CC(CCN)CNCCCCCCCNCCCCN

Isomeric SMILES

C1=CC=C(C=C1)N(CC=S)CC(CCN)CNCCCCCCCNCCCCN

InChI

InChI=1S/C24H45N5S/c25-14-7-10-17-27-16-8-2-1-3-9-18-28-21-23(13-15-26)22-29(19-20-30)24-11-5-4-6-12-24/h4-6,11-12,20,23,27-28H,1-3,7-10,13-19,21-22,25-26H2