3-azanyl-6-[4-(phenylazanylcarbamoyl)piperazin-1-yl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 3-azanyl-6-[4-(phenylazanylcarbamoyl)piperazin-1-yl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-6-[4-(anilinocarbamoyl)piperazin-1-yl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-[4-[oxo-(phenylhydrazo)methyl]-1-piperazinyl]-4-propyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-[4-(anilinocarbamoyl)piperazin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-6-[4-(anilinocarbamoyl)piperazino]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C22H26N6O3S MolecularWeight: 454.54524

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCN(CC3)C(=O)NNC4=CC=CC=C4

Isomeric SMILES

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCN(CC3)C(=O)NNC4=CC=CC=C4

InChI

InChI=1S/C22H26N6O3S/c1-2-6-14-13-16(24-20-17(14)18(23)19(32-20)21(29)30)27-9-11-28(12-10-27)22(31)26-25-15-7-4-3-5-8-15/h3-5,7-8,13,25H,2,6,9-12,23H2,1H3,(H,26,31)(H,29,30)