S-(diethylamino) 4-[4-(2-quinolin-4-ylsulfanylethanoyl)phenyl]piperazine-1-carbothioate

Systemtic Name: S-(diethylamino) 4-[4-(2-quinolin-4-ylsulfanylethanoyl)phenyl]piperazine-1-carbothioate Openeye Name: S-(diethylamino) 4-[4-[2-(4-quinolylsulfanyl)acetyl]phenyl]piperazine-1-carbothioate CAS Name: 4-[4-[1-oxo-2-(4-quinolinylthio)ethyl]phenyl]-1-piperazinecarbothioic acid S-(diethylamino) ester IUPAC Name: S-(diethylamino) 4-[4-(2-quinolin-4-ylsulfanylacetyl)phenyl]piperazine-1-carbothioate Traditional Name: 4-[4-[2-(4-quinolylthio)acetyl]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)C(=O)CSC3=CC=NC4=CC=CC=C43

Isomeric SMILES

CCN(CC)SC(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)CSC3=CC=NC4=CC=CC=C43

InChI

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