5-[(Z)-(3-butyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-4-methyl-6-(4-methylpiperazin-1-yl)-2-oxidanylidene-pyridine-3-carbonitrile

Systemtic Name: 5-[(Z)-(3-butyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-4-methyl-6-(4-methylpiperazin-1-yl)-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 5-[(Z)-(3-butyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-1-ethyl-4-methyl-6-(4-methylpiperazin-1-yl)-2-oxo-pyridine-3-carbonitrile CAS Name: 5-[(Z)-(3-butyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]-1-ethyl-4-methyl-6-(4-methyl-1-piperazinyl)-2-oxo-3-pyridinecarbonitrile IUPAC Name: 5-[(Z)-(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-4-methyl-6-(4-methylpiperazin-1-yl)-2-oxopyridine-3-carbonitrile Traditional Name: 5-[(Z)-(3-butyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-1-ethyl-2-keto-4-methyl-6-(4-methylpiperazino)nicotinonitrile Formula: C22H29N5O2S2 MolecularWeight: 459.62796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CC2=C(N(C(=O)C(=C2C)C#N)CC)N3CCN(CC3)C)SC1=S

Isomeric SMILES

CCCCN1C(=O)/C(=C/C2=C(N(C(=O)C(=C2C)C#N)CC)N3CCN(CC3)C)/SC1=S

InChI

InChI=1S/C22H29N5O2S2/c1-5-7-8-27-21(29)18(31-22(27)30)13-16-15(3)17(14-23)20(28)26(6-2)19(16)25-11-9-24(4)10-12-25/h13H,5-12H2,1-4H3/b18-13-