4-methyl-N-quinoxalino[2,3-f][4,7]phenanthrolin-11-yl-piperidine-1-carbothioamide

Systemtic Name: 4-methyl-N-quinoxalino[2,3-f][4,7]phenanthrolin-11-yl-piperidine-1-carbothioamide Openeye Name: 4-methyl-N-quinoxalino[2,3-f][4,7]phenanthrolin-11-yl-piperidine-1-carbothioamide CAS Name: 4-methyl-N-(11-quinoxalino[2,3-f][4,7]phenanthrolinyl)-1-piperidinecarbothioamide IUPAC Name: 4-methyl-N-quinoxalino[2,3-f][4,7]phenanthrolin-11-ylpiperidine-1-carbothioamide Traditional Name: 4-methyl-N-quinoxalino[2,3-f][4,7]phenanthrolin-11-yl-piperidine-1-carbothioamide Formula: C25H22N6S MolecularWeight: 438.54738

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=S)NC2=CC3=NC4=C5C(=C6C=CC=NC6=C4N=C3C=C2)C=CC=N5

Isomeric SMILES

CC1CCN(CC1)C(=S)NC2=CC3=NC4=C5C(=C6C=CC=NC6=C4N=C3C=C2)C=CC=N5

InChI

InChI=1S/C25H22N6S/c1-15-8-12-31(13-9-15)25(32)28-16-6-7-19-20(14-16)30-24-22-18(5-3-11-27-22)17-4-2-10-26-21(17)23(24)29-19/h2-7,10-11,14-15H,8-9,12-13H2,1H3,(H,28,32)