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

Systemtic Name: ethyl 4-[1-ethyl-2-oxidanylidene-3-[[4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]quinolin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-[(3-benzyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-1-ethyl-2-oxo-4-quinolyl]piperazine-1-carboxylate CAS Name: 4-[1-ethyl-2-oxo-3-[[4-oxo-3-(phenylmethyl)-2-sulfanylidene-5-thiazolidinylidene]methyl]-4-quinolinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-2-oxoquinolin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[3-[(3-benzyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-1-ethyl-2-keto-4-quinolyl]piperazine-1-carboxylic acid ethyl ester Formula: C29H30N4O4S2 MolecularWeight: 562.7029

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=C(C1=O)C=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4)N5CCN(CC5)C(=O)OCC

Isomeric SMILES

CCN1C2=CC=CC=C2C(=C(C1=O)C=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4)N5CCN(CC5)C(=O)OCC

InChI

InChI=1S/C29H30N4O4S2/c1-3-32-23-13-9-8-12-21(23)25(30-14-16-31(17-15-30)28(36)37-4-2)22(26(32)34)18-24-27(35)33(29(38)39-24)19-20-10-6-5-7-11-20/h5-13,18H,3-4,14-17,19H2,1-2H3