[2-oxidanylidene-2-[2,2,4-trimethyl-6-(triphenylmethyl)quinolin-1-yl]ethyl] 4-methylpiperazine-1-carbodithioate

Systemtic Name: [2-oxidanylidene-2-[2,2,4-trimethyl-6-(triphenylmethyl)quinolin-1-yl]ethyl] 4-methylpiperazine-1-carbodithioate Openeye Name: [2-oxo-2-(2,2,4-trimethyl-6-trityl-1-quinolyl)ethyl] 4-methylpiperazine-1-carbodithioate CAS Name: 4-methyl-1-piperazinecarbodithioic acid [2-oxo-2-[2,2,4-trimethyl-6-(triphenylmethyl)-1-quinolinyl]ethyl] ester IUPAC Name: [2-oxo-2-(2,2,4-trimethyl-6-tritylquinolin-1-yl)ethyl] 4-methylpiperazine-1-carbodithioate Traditional Name: 4-methylpiperazine-1-carbodithioic acid [2-keto-2-(2,2,4-trimethyl-6-trityl-1-quinolyl)ethyl] ester Formula: C39H41N3OS2 MolecularWeight: 631.89234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(N(C2=C1C=C(C=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)CSC(=S)N6CCN(CC6)C)(C)C

Isomeric SMILES

CC1=CC(N(C2=C1C=C(C=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)CSC(=S)N6CCN(CC6)C)(C)C

InChI

InChI=1S/C39H41N3OS2/c1-29-27-38(2,3)42(36(43)28-45-37(44)41-24-22-40(4)23-25-41)35-21-20-33(26-34(29)35)39(30-14-8-5-9-15-30,31-16-10-6-11-17-31)32-18-12-7-13-19-32/h5-21,26-27H,22-25,28H2,1-4H3