N-[2,3-bis(1H-pyrrol-2-yl)quinoxalin-6-yl]piperidine-1-carbothioamide

Systemtic Name: N-[2,3-bis(1H-pyrrol-2-yl)quinoxalin-6-yl]piperidine-1-carbothioamide Openeye Name: N-[2,3-bis(1H-pyrrol-2-yl)quinoxalin-6-yl]piperidine-1-carbothioamide CAS Name: N-[2,3-bis(1H-pyrrol-2-yl)-6-quinoxalinyl]-1-piperidinecarbothioamide IUPAC Name: N-[2,3-bis(1H-pyrrol-2-yl)quinoxalin-6-yl]piperidine-1-carbothioamide Traditional Name: N-[2,3-bis(1H-pyrrol-2-yl)quinoxalin-6-yl]piperidine-1-carbothioamide Formula: C22H22N6S MolecularWeight: 402.51528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=S)NC2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CN4)C5=CC=CN5

Isomeric SMILES

C1CCN(CC1)C(=S)NC2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CN4)C5=CC=CN5

InChI

InChI=1S/C22H22N6S/c29-22(28-12-2-1-3-13-28)25-15-8-9-16-19(14-15)27-21(18-7-5-11-24-18)20(26-16)17-6-4-10-23-17/h4-11,14,23-24H,1-3,12-13H2,(H,25,29)