1-[1-methyl-2-oxidanylidene-3-[[4-oxidanylidene-3-(phenylmethyl)-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-(phenylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]quinolin-4-yl]piperidine-4-carboxamide Openeye Name: 1-[3-[(3-benzyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-1-methyl-2-oxo-4-quinolyl]piperidine-4-carboxamide CAS Name: 1-[1-methyl-2-oxo-3-[[4-oxo-3-(phenylmethyl)-2-sulfanylidene-5-thiazolidinylidene]methyl]-4-quinolinyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-methyl-2-oxoquinolin-4-yl]piperidine-4-carboxamide Traditional Name: 1-[3-[(3-benzyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2-keto-1-methyl-4-quinolyl]isonipecotamide Formula: C27H26N4O3S2 MolecularWeight: 518.65034

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C(C1=O)C=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4)N5CCC(CC5)C(=O)N

Isomeric SMILES

CN1C2=CC=CC=C2C(=C(C1=O)C=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4)N5CCC(CC5)C(=O)N

InChI

InChI=1S/C27H26N4O3S2/c1-29-21-10-6-5-9-19(21)23(30-13-11-18(12-14-30)24(28)32)20(25(29)33)15-22-26(34)31(27(35)36-22)16-17-7-3-2-4-8-17/h2-10,15,18H,11-14,16H2,1H3,(H2,28,32)