1-[1-methyl-2-oxidanylidene-3-[(4-oxidanylidene-3-phenethyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]quinolin-4-yl]piperidine-4-carboxamide

Systemtic Name: 1-[1-methyl-2-oxidanylidene-3-[(4-oxidanylidene-3-phenethyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]quinolin-4-yl]piperidine-4-carboxamide Openeye Name: 1-[1-methyl-2-oxo-3-[(4-oxo-3-phenethyl-2-thioxo-thiazolidin-5-ylidene)methyl]-4-quinolyl]piperidine-4-carboxamide CAS Name: 1-[1-methyl-2-oxo-3-[(4-oxo-3-phenethyl-2-sulfanylidene-5-thiazolidinylidene)methyl]-4-quinolinyl]-4-piperidinecarboxamide IUPAC Name: 1-[1-methyl-2-oxo-3-[(4-oxo-3-phenethyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]quinolin-4-yl]piperidine-4-carboxamide Traditional Name: 1-[2-keto-3-[(4-keto-3-phenethyl-2-thioxo-thiazolidin-5-ylidene)methyl]-1-methyl-4-quinolyl]isonipecotamide Formula: C28H28N4O3S2 MolecularWeight: 532.67692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C(C1=O)C=C3C(=O)N(C(=S)S3)CCC4=CC=CC=C4)N5CCC(CC5)C(=O)N

Isomeric SMILES

CN1C2=CC=CC=C2C(=C(C1=O)C=C3C(=O)N(C(=S)S3)CCC4=CC=CC=C4)N5CCC(CC5)C(=O)N

InChI

InChI=1S/C28H28N4O3S2/c1-30-22-10-6-5-9-20(22)24(31-14-12-19(13-15-31)25(29)33)21(26(30)34)17-23-27(35)32(28(36)37-23)16-11-18-7-3-2-4-8-18/h2-10,17,19H,11-16H2,1H3,(H2,29,33)