ethyl 4-[1-ethyl-3-[[3-(2-methylpropyl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-oxidanylidene-quinolin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-ethyl-3-[[3-(2-methylpropyl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-oxidanylidene-quinolin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[1-ethyl-3-[(3-isobutyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-2-oxo-4-quinolyl]piperazine-1-carboxylate CAS Name: 4-[1-ethyl-3-[[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-5-thiazolidinylidene]methyl]-2-oxo-4-quinolinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-ethyl-3-[[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-oxoquinolin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[1-ethyl-3-[(3-isobutyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2-keto-4-quinolyl]piperazine-1-carboxylic acid ethyl ester Formula: C26H32N4O4S2 MolecularWeight: 528.68668

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=C(C1=O)C=C3C(=O)N(C(=S)S3)CC(C)C)N4CCN(CC4)C(=O)OCC

Isomeric SMILES

CCN1C2=CC=CC=C2C(=C(C1=O)C=C3C(=O)N(C(=S)S3)CC(C)C)N4CCN(CC4)C(=O)OCC

InChI

InChI=1S/C26H32N4O4S2/c1-5-29-20-10-8-7-9-18(20)22(27-11-13-28(14-12-27)25(33)34-6-2)19(23(29)31)15-21-24(32)30(16-17(3)4)26(35)36-21/h7-10,15,17H,5-6,11-14,16H2,1-4H3