4-azanyl-1-[7-(4-azanylbutanoyl)-9H-thioxanthen-2-yl]butan-1-one dihydrochloride

Systemtic Name: 4-azanyl-1-[7-(4-azanylbutanoyl)-9H-thioxanthen-2-yl]butan-1-one dihydrochloride Openeye Name: 4-amino-1-[7-(4-aminobutanoyl)-9H-thioxanthen-2-yl]butan-1-one dihydrochloride CAS Name: 4-amino-1-[7-(4-amino-1-oxobutyl)-9H-thioxanthen-2-yl]-1-butanone dihydrochloride IUPAC Name: 4-amino-1-[7-(4-aminobutanoyl)-9H-thioxanthen-2-yl]butan-1-one dihydrochloride Traditional Name: 4-amino-1-[7-(4-aminobutanoyl)-9H-thioxanthen-2-yl]butan-1-one dihydrochloride Formula: C21H26Cl2N2O2S MolecularWeight: 441.41434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C(=O)CCCN)SC3=C1C=C(C=C3)C(=O)CCCN.Cl.Cl

Isomeric SMILES

C1C2=C(C=CC(=C2)C(=O)CCCN)SC3=C1C=C(C=C3)C(=O)CCCN.Cl.Cl

InChI

InChI=1S/C21H24N2O2S.2ClH/c22-9-1-3-18(24)14-5-7-20-16(11-14)13-17-12-15(6-8-21(17)26-20)19(25)4-2-10-23;;/h5-8,11-12H,1-4,9-10,13,22-23H2;2*1H