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

Systemtic Name: 5-[(Z)-[3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-2-oxidanylidene-6-[4-(phenylmethyl)piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-(4-benzylpiperazin-1-yl)-5-[(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-2-oxo-pyridine-3-carbonitrile CAS Name: 5-[(Z)-[3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-5-thiazolidinylidene]methyl]-1,4-dimethyl-2-oxo-6-[4-(phenylmethyl)-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-(4-benzylpiperazin-1-yl)-5-[(Z)-[3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-2-oxopyridine-3-carbonitrile Traditional Name: 6-(4-benzylpiperazino)-2-keto-5-[(Z)-[4-keto-3-(3-methoxypropyl)-2-thioxo-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-nicotinonitrile Formula: C27H31N5O3S2 MolecularWeight: 537.69674

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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)CC4=CC=CC=C4)C)C#N

Isomeric SMILES

CC1=C(C(=O)N(C(=C1/C=C\2/C(=O)N(C(=S)S2)CCCOC)N3CCN(CC3)CC4=CC=CC=C4)C)C#N

InChI

InChI=1S/C27H31N5O3S2/c1-19-21(16-23-26(34)32(27(36)37-23)10-7-15-35-3)24(29(2)25(33)22(19)17-28)31-13-11-30(12-14-31)18-20-8-5-4-6-9-20/h4-6,8-9,16H,7,10-15,18H2,1-3H3/b23-16-