4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-methyl-quinolin-2-one

Systemtic Name: 4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-methyl-quinolin-2-one Openeye Name: 4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-1-methyl-quinolin-2-one CAS Name: 4-[[2-(4-cyclohexyl-1-piperazinyl)-2-oxoethyl]thio]-1-methyl-2-quinolinone IUPAC Name: 4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1-methylquinolin-2-one Traditional Name: 4-[[2-(4-cyclohexylpiperazino)-2-keto-ethyl]thio]-1-methyl-carbostyril Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=CC1=O)SCC(=O)N3CCN(CC3)C4CCCCC4

Isomeric SMILES

CN1C2=CC=CC=C2C(=CC1=O)SCC(=O)N3CCN(CC3)C4CCCCC4

InChI

InChI=1S/C22H29N3O2S/c1-23-19-10-6-5-9-18(19)20(15-21(23)26)28-16-22(27)25-13-11-24(12-14-25)17-7-3-2-4-8-17/h5-6,9-10,15,17H,2-4,7-8,11-14,16H2,1H3