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

Systemtic Name: 5-[[3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-(4-methylpiperazin-1-yl)-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 5-[[3-(3-methoxypropyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-(4-methylpiperazin-1-yl)-2-oxo-pyridine-3-carbonitrile CAS Name: 5-[[3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-5-thiazolidinylidene]methyl]-1,4-dimethyl-6-(4-methyl-1-piperazinyl)-2-oxo-3-pyridinecarbonitrile IUPAC Name: 5-[[3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-(4-methylpiperazin-1-yl)-2-oxopyridine-3-carbonitrile Traditional Name: 2-keto-5-[[4-keto-3-(3-methoxypropyl)-2-thioxo-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-(4-methylpiperazino)nicotinonitrile Formula: C21H27N5O3S2 MolecularWeight: 461.60078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=C1C=C2C(=O)N(C(=S)S2)CCCOC)N3CCN(CC3)C)C)C#N

Isomeric SMILES

CC1=C(C(=O)N(C(=C1C=C2C(=O)N(C(=S)S2)CCCOC)N3CCN(CC3)C)C)C#N

InChI

InChI=1S/C21H27N5O3S2/c1-14-15(12-17-20(28)26(21(30)31-17)6-5-11-29-4)18(24(3)19(27)16(14)13-22)25-9-7-23(2)8-10-25/h12H,5-11H2,1-4H3