S-(diethylamino) 4-[4-[2-(2-oxidanylideneethylsulfanyl)quinolin-3-yl]phenyl]piperazine-1-carbothioate

Systemtic Name: S-(diethylamino) 4-[4-[2-(2-oxidanylideneethylsulfanyl)quinolin-3-yl]phenyl]piperazine-1-carbothioate Openeye Name: S-(diethylamino) 4-[4-[2-(2-oxoethylsulfanyl)-3-quinolyl]phenyl]piperazine-1-carbothioate CAS Name: 4-[4-[2-(2-oxoethylthio)-3-quinolinyl]phenyl]-1-piperazinecarbothioic acid S-(diethylamino) ester IUPAC Name: S-(diethylamino) 4-[4-[2-(2-oxoethylsulfanyl)quinolin-3-yl]phenyl]piperazine-1-carbothioate Traditional Name: 4-[4-[2-(2-ketoethylthio)-3-quinolyl]phenyl]piperazine-1-carbothioic acid S-(diethylamino) ester Formula: C26H30N4O2S2 MolecularWeight: 494.672

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)SC(=O)N1CCN(CC1)C2=CC=C(C=C2)C3=CC4=CC=CC=C4N=C3SCC=O

Isomeric SMILES

CCN(CC)SC(=O)N1CCN(CC1)C2=CC=C(C=C2)C3=CC4=CC=CC=C4N=C3SCC=O

InChI

InChI=1S/C26H30N4O2S2/c1-3-30(4-2)34-26(32)29-15-13-28(14-16-29)22-11-9-20(10-12-22)23-19-21-7-5-6-8-24(21)27-25(23)33-18-17-31/h5-12,17,19H,3-4,13-16,18H2,1-2H3