N-cyano-4-[6-[(6-methoxy-4-methyl-quinolin-8-yl)amino]hexyl]piperazine-1-carboximidothioate

Systemtic Name: N-cyano-4-[6-[(6-methoxy-4-methyl-quinolin-8-yl)amino]hexyl]piperazine-1-carboximidothioate Openeye Name: N-cyano-4-[6-[(6-methoxy-4-methyl-8-quinolyl)amino]hexyl]piperazine-1-carboximidothioate CAS Name: N-cyano-4-[6-[(6-methoxy-4-methyl-8-quinolinyl)amino]hexyl]-1-piperazinecarboximidothioate IUPAC Name: N-cyano-4-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexyl]piperazine-1-carboximidothioate Traditional Name: N-cyano-4-[6-[(6-methoxy-4-methyl-8-quinolyl)amino]hexyl]piperazine-1-carboximidothioate Formula: C23H31N6OS- MolecularWeight: 439.59684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C=C(C2=NC=C1)NCCCCCCN3CCN(CC3)C(=NC#N)[S-])OC

Isomeric SMILES

CC1=C2C=C(C=C(C2=NC=C1)NCCCCCCN3CCN(CC3)C(=NC#N)[S-])OC

InChI

InChI=1S/C23H32N6OS/c1-18-7-9-26-22-20(18)15-19(30-2)16-21(22)25-8-5-3-4-6-10-28-11-13-29(14-12-28)23(31)27-17-24/h7,9,15-16,25H,3-6,8,10-14H2,1-2H3,(H,27,31)/p-1