1-(2-aminophenyl)-3-azanyl-3-(4-azanylbutyl)-5-(1-benzothiophen-3-yl)pentane-2,4-dione

Systemtic Name: 1-(2-aminophenyl)-3-azanyl-3-(4-azanylbutyl)-5-(1-benzothiophen-3-yl)pentane-2,4-dione Openeye Name: 3-amino-3-(4-aminobutyl)-1-(2-aminophenyl)-5-(benzothiophen-3-yl)pentane-2,4-dione CAS Name: 3-amino-3-(4-aminobutyl)-1-(2-aminophenyl)-5-(1-benzothiophen-3-yl)pentane-2,4-dione IUPAC Name: 3-amino-3-(4-aminobutyl)-1-(2-aminophenyl)-5-(1-benzothiophen-3-yl)pentane-2,4-dione Traditional Name: 3-amino-3-(4-aminobutyl)-1-(2-aminophenyl)-5-(benzothiophen-3-yl)pentane-2,4-dione Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC(=O)C(CCCCN)(C(=O)CC2=CSC3=CC=CC=C32)N)N

Isomeric SMILES

C1=CC=C(C(=C1)CC(=O)C(CCCCN)(C(=O)CC2=CSC3=CC=CC=C32)N)N

InChI

InChI=1S/C23H27N3O2S/c24-12-6-5-11-23(26,21(27)13-16-7-1-3-9-19(16)25)22(28)14-17-15-29-20-10-4-2-8-18(17)20/h1-4,7-10,15H,5-6,11-14,24-26H2