3-(cyclopropylamino)-4-[4-(8-thiophen-2-ylquinolin-2-yl)piperazin-1-yl]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(cyclopropylamino)-4-[4-(8-thiophen-2-ylquinolin-2-yl)piperazin-1-yl]cyclobut-3-ene-1,2-dione Openeye Name: 3-(cyclopropylamino)-4-[4-[8-(2-thienyl)-2-quinolyl]piperazin-1-yl]cyclobut-3-ene-1,2-dione CAS Name: 3-(cyclopropylamino)-4-[4-(8-thiophen-2-yl-2-quinolinyl)-1-piperazinyl]cyclobut-3-ene-1,2-dione IUPAC Name: 3-(cyclopropylamino)-4-[4-(8-thiophen-2-ylquinolin-2-yl)piperazin-1-yl]cyclobut-3-ene-1,2-dione Traditional Name: 3-(cyclopropylamino)-4-[4-[8-(2-thienyl)-2-quinolyl]piperazino]cyclobut-3-ene-1,2-quinone Formula: C24H22N4O2S MolecularWeight: 430.52208

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C(=O)C2=O)N3CCN(CC3)C4=NC5=C(C=CC=C5C6=CC=CS6)C=C4

Isomeric SMILES

C1CC1NC2=C(C(=O)C2=O)N3CCN(CC3)C4=NC5=C(C=CC=C5C6=CC=CS6)C=C4

InChI

InChI=1S/C24H22N4O2S/c29-23-21(25-16-7-8-16)22(24(23)30)28-12-10-27(11-13-28)19-9-6-15-3-1-4-17(20(15)26-19)18-5-2-14-31-18/h1-6,9,14,16,25H,7-8,10-13H2