S-[2-methyl-3-oxidanylidene-3-[(2S)-2-[4-(quinolin-4-ylmethyl)piperazin-1-yl]carbonylpyrrolidin-1-yl]propyl] ethanethioate

Systemtic Name: S-[2-methyl-3-oxidanylidene-3-[(2S)-2-[4-(quinolin-4-ylmethyl)piperazin-1-yl]carbonylpyrrolidin-1-yl]propyl] ethanethioate Openeye Name: S-[2-methyl-3-oxo-3-[(2S)-2-[4-(4-quinolylmethyl)piperazine-1-carbonyl]pyrrolidin-1-yl]propyl] ethanethioate CAS Name: ethanethioic acid S-[2-methyl-3-oxo-3-[(2S)-2-[oxo-[4-(4-quinolinylmethyl)-1-piperazinyl]methyl]-1-pyrrolidinyl]propyl] ester IUPAC Name: S-[2-methyl-3-oxo-3-[(2S)-2-[4-(quinolin-4-ylmethyl)piperazine-1-carbonyl]pyrrolidin-1-yl]propyl] ethanethioate Traditional Name: ethanethioic acid S-[3-keto-2-methyl-3-[(2S)-2-[4-(4-quinolylmethyl)piperazine-1-carbonyl]pyrrolidino]propyl] ester Formula: C25H32N4O3S MolecularWeight: 468.61158

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1CCCC1C(=O)N2CCN(CC2)CC3=CC=NC4=CC=CC=C34

Isomeric SMILES

CC(CSC(=O)C)C(=O)N1CCC[C@H]1C(=O)N2CCN(CC2)CC3=CC=NC4=CC=CC=C34

InChI

InChI=1S/C25H32N4O3S/c1-18(17-33-19(2)30)24(31)29-11-5-8-23(29)25(32)28-14-12-27(13-15-28)16-20-9-10-26-22-7-4-3-6-21(20)22/h3-4,6-7,9-10,18,23H,5,8,11-17H2,1-2H3/t18?,23-/m0/s1