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

Systemtic Name: 4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-quinolin-2-one Openeye Name: 4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-1-ethyl-quinolin-2-one CAS Name: 4-[[2-(4-cyclohexyl-1-piperazinyl)-2-oxoethyl]thio]-1-ethyl-2-quinolinone IUPAC Name: 4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1-ethylquinolin-2-one Traditional Name: 4-[[2-(4-cyclohexylpiperazino)-2-keto-ethyl]thio]-1-ethyl-carbostyril Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=CC1=O)SCC(=O)N3CCN(CC3)C4CCCCC4

Isomeric SMILES

CCN1C2=CC=CC=C2C(=CC1=O)SCC(=O)N3CCN(CC3)C4CCCCC4

InChI

InChI=1S/C23H31N3O2S/c1-2-26-20-11-7-6-10-19(20)21(16-22(26)27)29-17-23(28)25-14-12-24(13-15-25)18-8-4-3-5-9-18/h6-7,10-11,16,18H,2-5,8-9,12-15,17H2,1H3